<h1 align="center">Set of Individual Molecules </h1>
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<P ALIGN="LEFT"> <PRE>          #         GUI         Species </PRE> <font face="Courier New">
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H6N2              
        01_NH3_dimer
REF: <B><span class="b">&Delta;</span>H<sub>f</sub>:</B>   -3.2 kcal/mol, <b>&nbsp;&nbsp;&nbsp; REF: </b> P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
01 Ammonia dimer
H4O2              
        02_water_dimer
REF: <B><span class="b">&Delta;</span>H<sub>f</sub>:</B>   -5.0 kcal/mol, <b>&nbsp;&nbsp;&nbsp; REF: </b> P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
02 Water dimer
C2H4O4            
        03_formic_acid_dimer
REF: <B><span class="b">&Delta;</span>H<sub>f</sub>:</B>  -18.6 kcal/mol, <b>&nbsp;&nbsp;&nbsp; REF: </b> P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
03 Formic acid dimer
C2H6N2O2          
        04_formamide_dimer
REF: <B><span class="b">&Delta;</span>H<sub>f</sub>:</B>  -16.0 kcal/mol, <b>&nbsp;&nbsp;&nbsp; REF: </b> P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
04 Formamide dimer
C8H8N4O4          
        05_uracil_HB
REF: <B><span class="b">&Delta;</span>H<sub>f</sub>:</B>  -20.5 kcal/mol, <b>&nbsp;&nbsp;&nbsp; REF: </b> P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
05 Uracil HB
C10H11N3O         
        06_pyridoxine_aminopyridine
REF: <B><span class="b">&Delta;</span>H<sub>f</sub>:</B>  -16.7 kcal/mol, <b>&nbsp;&nbsp;&nbsp; REF: </b> P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
06 Pyridoxine - aminopyridine
C10H11N7O2        
        07_adenine_thymine_WC
REF: <B><span class="b">&Delta;</span>H<sub>f</sub>:</B>  -16.4 kcal/mol, <b>&nbsp;&nbsp;&nbsp; REF: </b> P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
07 Adenine - thymine WC
C2H8              
        08_CH4_dimer
REF: <B><span class="b">&Delta;</span>H<sub>f</sub>:</B>   -0.5 kcal/mol, <b>&nbsp;&nbsp;&nbsp; REF: </b> P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
08 Methane methane
C4H8              
        09_Ethylene_dimer
REF: <B><span class="b">&Delta;</span>H<sub>f</sub>:</B>   -1.5 kcal/mol, <b>&nbsp;&nbsp;&nbsp; REF: </b> P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
09 Ethylene dimer
C7H10             
        10_benzene_methane
REF: <B><span class="b">&Delta;</span>H<sub>f</sub>:</B>   -1.5 kcal/mol, <b>&nbsp;&nbsp;&nbsp; REF: </b> P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
10 Benzene - methane
C12H12            
        11_benzene_dimer_stack
REF: <B><span class="b">&Delta;</span>H<sub>f</sub>:</B>   -2.7 kcal/mol, <b>&nbsp;&nbsp;&nbsp; REF: </b> P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
11 Benzene dimer stack
C8H8N4            
        12_pyrazine_dimer
REF: <B><span class="b">&Delta;</span>H<sub>f</sub>:</B>   -4.4 kcal/mol, <b>&nbsp;&nbsp;&nbsp; REF: </b> P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
12 Pyrazine dimer
C8H8N4O4          
        13_uracil_dimer_stack
REF: <B><span class="b">&Delta;</span>H<sub>f</sub>:</B>   -9.9 kcal/mol, <b>&nbsp;&nbsp;&nbsp; REF: </b> P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
13 Uracil dimer stack
C14H13N           
        14_indole_benzene_stack
REF: <B><span class="b">&Delta;</span>H<sub>f</sub>:</B>   -5.2 kcal/mol, <b>&nbsp;&nbsp;&nbsp; REF: </b> P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
14 Indole - benzene stack
C10H11N7O2        
        15_adenine_thymine_stack
REF: <B><span class="b">&Delta;</span>H<sub>f</sub>:</B>  -12.2 kcal/mol, <b>&nbsp;&nbsp;&nbsp; REF: </b> P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
15 Adenine - thymine stack
C4H6              
        16_Ethylene_acetylene
REF: <B><span class="b">&Delta;</span>H<sub>f</sub>:</B>   -1.5 kcal/mol, <b>&nbsp;&nbsp;&nbsp; REF: </b> P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
16 Ethylene - acetylene
C6H8O             
        17_benzene_H2O
REF: <B><span class="b">&Delta;</span>H<sub>f</sub>:</B>   -3.3 kcal/mol, <b>&nbsp;&nbsp;&nbsp; REF: </b> P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
17 Benzene - water
C6H9N             
        18_benzene_NH3
REF: <B><span class="b">&Delta;</span>H<sub>f</sub>:</B>   -2.4 kcal/mol, <b>&nbsp;&nbsp;&nbsp; REF: </b> P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
18 Benzene - ammonia
C7H7N             
        19_benzene_HCN
REF: <B><span class="b">&Delta;</span>H<sub>f</sub>:</B>   -4.5 kcal/mol, <b>&nbsp;&nbsp;&nbsp; REF: </b> P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
19 Benzene - HCN
C12H12            
        20_benzene_dimer_T
REF: <B><span class="b">&Delta;</span>H<sub>f</sub>:</B>   -2.7 kcal/mol, <b>&nbsp;&nbsp;&nbsp; REF: </b> P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
20 Benzene dimer "T"
C14H13N           
        21_indole_benzene_T
REF: <B><span class="b">&Delta;</span>H<sub>f</sub>:</B>   -5.7 kcal/mol, <b>&nbsp;&nbsp;&nbsp; REF: </b> P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
21 Indole - benzene T
C12H12O2          
        22_phenol_dimer
REF: <B><span class="b">&Delta;</span>H<sub>f</sub>:</B>   -7.0 kcal/mol, <b>&nbsp;&nbsp;&nbsp; REF: </b> P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
22 Phenol dimer
H4O2              
        01 Water - Water
REF: <B><span class="b">&Delta;</span>H<sub>f</sub>:</B>   -4.9 kcal/mol, <b>&nbsp;&nbsp;&nbsp; REF: </b> P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
01 Water - Water
CH6O2             
        02 Water - Methanol
REF: <B><span class="b">&Delta;</span>H<sub>f</sub>:</B>   -5.6 kcal/mol, <b>&nbsp;&nbsp;&nbsp; REF: </b> P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
02 Water - Methanol
CH7NO             
        03 Water - MeNH2
REF: <B><span class="b">&Delta;</span>H<sub>f</sub>:</B>   -6.9 kcal/mol, <b>&nbsp;&nbsp;&nbsp; REF: </b> P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
03 Water - MeNH2
C3H9NO2           
        04 Water - Peptide
REF: <B><span class="b">&Delta;</span>H<sub>f</sub>:</B>   -8.1 kcal/mol, <b>&nbsp;&nbsp;&nbsp; REF: </b> P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
04 Water - Peptide
C2H8O2            
        05 MeOH - MeOH
REF: <B><span class="b">&Delta;</span>H<sub>f</sub>:</B>   -5.8 kcal/mol, <b>&nbsp;&nbsp;&nbsp; REF: </b> P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
05 MeOH - MeOH
C2H9NO            
        06 MeOH - MeNH2
REF: <B><span class="b">&Delta;</span>H<sub>f</sub>:</B>   -7.5 kcal/mol, <b>&nbsp;&nbsp;&nbsp; REF: </b> P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
06 MeOH - MeNH2
C4H11NO2          
        07 MeOH - Peptide
REF: <B><span class="b">&Delta;</span>H<sub>f</sub>:</B>   -8.2 kcal/mol, <b>&nbsp;&nbsp;&nbsp; REF: </b> P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
07 MeOH - Peptide
CH6O2             
        08 MeOH - Water
REF: <B><span class="b">&Delta;</span>H<sub>f</sub>:</B>   -5.0 kcal/mol, <b>&nbsp;&nbsp;&nbsp; REF: </b> P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
08 MeOH - Water
C2H9NO            
        09 MeNH2 - MeOH
REF: <B><span class="b">&Delta;</span>H<sub>f</sub>:</B>   -3.1 kcal/mol, <b>&nbsp;&nbsp;&nbsp; REF: </b> P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
09 MeNH2 - MeOH
C2H10N2           
        10 MeNH2 - MeNH2
REF: <B><span class="b">&Delta;</span>H<sub>f</sub>:</B>   -4.2 kcal/mol, <b>&nbsp;&nbsp;&nbsp; REF: </b> P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
10 MeNH2 - MeNH2
C4H12N2O          
        11 MeNH2 - Peptide
REF: <B><span class="b">&Delta;</span>H<sub>f</sub>:</B>   -5.4 kcal/mol, <b>&nbsp;&nbsp;&nbsp; REF: </b> P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
11 MeNH2 - Peptide
CH7NO             
        12 MeNH2 - Water
REF: <B><span class="b">&Delta;</span>H<sub>f</sub>:</B>   -7.3 kcal/mol, <b>&nbsp;&nbsp;&nbsp; REF: </b> P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
12 MeNH2 - Water
C4H11NO2          
        13 Peptide - MeOH
REF: <B><span class="b">&Delta;</span>H<sub>f</sub>:</B>   -6.2 kcal/mol, <b>&nbsp;&nbsp;&nbsp; REF: </b> P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
13 Peptide - MeOH
C4H12N2O          
        14 Peptide - MeNH2
REF: <B><span class="b">&Delta;</span>H<sub>f</sub>:</B>   -7.5 kcal/mol, <b>&nbsp;&nbsp;&nbsp; REF: </b> P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
14 Peptide - MeNH2
C6H14N2O2         
        15 Peptide - Peptide
REF: <B><span class="b">&Delta;</span>H<sub>f</sub>:</B>   -8.6 kcal/mol, <b>&nbsp;&nbsp;&nbsp; REF: </b> P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
15 Peptide - Peptide
C3H9NO2           
        16 Peptide - Water
REF: <B><span class="b">&Delta;</span>H<sub>f</sub>:</B>   -5.1 kcal/mol, <b>&nbsp;&nbsp;&nbsp; REF: </b> P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
16 Peptide - Water
C8H8N4O4          
        17 Uracil - Uracil (BP)
REF: <B><span class="b">&Delta;</span>H<sub>f</sub>:</B>  -17.2 kcal/mol, <b>&nbsp;&nbsp;&nbsp; REF: </b> P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
17 Uracil - Uracil (BP)
C5H7NO            
        18 Water - Pyridine
REF: <B><span class="b">&Delta;</span>H<sub>f</sub>:</B>   -6.9 kcal/mol, <b>&nbsp;&nbsp;&nbsp; REF: </b> P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
18 Water - Pyridine
C6H9NO            
        19 MeOH - Pyridine
REF: <B><span class="b">&Delta;</span>H<sub>f</sub>:</B>   -7.4 kcal/mol, <b>&nbsp;&nbsp;&nbsp; REF: </b> P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
19 MeOH - Pyridine
C4H8O4            
        20 AcOH - AcOH
REF: <B><span class="b">&Delta;</span>H<sub>f</sub>:</B>  -19.1 kcal/mol, <b>&nbsp;&nbsp;&nbsp; REF: </b> P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
20 AcOH - AcOH
C4H10N2O2         
        21 AnNH2 - AcNH2
REF: <B><span class="b">&Delta;</span>H<sub>f</sub>:</B>  -16.3 kcal/mol, <b>&nbsp;&nbsp;&nbsp; REF: </b> P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
21 AnNH2 - AcNH2
C6H8N2O4          
        22 AcOH - Uracil
REF: <B><span class="b">&Delta;</span>H<sub>f</sub>:</B>  -19.5 kcal/mol, <b>&nbsp;&nbsp;&nbsp; REF: </b> P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
22 AcOH - Uracil
C6H9N3O3          
        23 AcNH2 - Uracil
REF: <B><span class="b">&Delta;</span>H<sub>f</sub>:</B>  -19.2 kcal/mol, <b>&nbsp;&nbsp;&nbsp; REF: </b> P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
23 AcNH2 - Uracil
C12H12            
        24 Benzene - Benzene (pi - pi)
REF: <B><span class="b">&Delta;</span>H<sub>f</sub>:</B>   -2.8 kcal/mol, <b>&nbsp;&nbsp;&nbsp; REF: </b> P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
24 Benzene - Benzene (pi - pi)
C10H10N2          
        25 Pyridine - Pyridine (pi - pi)
REF: <B><span class="b">&Delta;</span>H<sub>f</sub>:</B>   -3.9 kcal/mol, <b>&nbsp;&nbsp;&nbsp; REF: </b> P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
25 Pyridine - Pyridine (pi - pi)
C8H8N4O4          
        26 Uracil - Uracil (pi - pi)
REF: <B><span class="b">&Delta;</span>H<sub>f</sub>:</B>   -9.8 kcal/mol, <b>&nbsp;&nbsp;&nbsp; REF: </b> P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
26 Uracil - Uracil (pi - pi)
C11H11N           
        27 Benzene - Pyridine (pi - pi)
REF: <B><span class="b">&Delta;</span>H<sub>f</sub>:</B>   -3.4 kcal/mol, <b>&nbsp;&nbsp;&nbsp; REF: </b> P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
27 Benzene - Pyridine (pi - pi)
C10H10N2O2        
        28 Benzene - Uracil (pi - pi)
REF: <B><span class="b">&Delta;</span>H<sub>f</sub>:</B>   -5.7 kcal/mol, <b>&nbsp;&nbsp;&nbsp; REF: </b> P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
28 Benzene - Uracil (pi - pi)
C9H9N3O2          
        29 Pyridine - uracil (pi - pi)
REF: <B><span class="b">&Delta;</span>H<sub>f</sub>:</B>   -6.8 kcal/mol, <b>&nbsp;&nbsp;&nbsp; REF: </b> P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
29 Pyridine - uracil (pi - pi)
C8H10             
        30 Benzene - Ethylene
REF: <B><span class="b">&Delta;</span>H<sub>f</sub>:</B>   -1.4 kcal/mol, <b>&nbsp;&nbsp;&nbsp; REF: </b> P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
30 Benzene - Ethylene
C6H8N2O2          
        31 Uracil - Ethylene
REF: <B><span class="b">&Delta;</span>H<sub>f</sub>:</B>   -3.4 kcal/mol, <b>&nbsp;&nbsp;&nbsp; REF: </b> P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
31 Uracil - Ethylene
C6H6N2O2          
        32 Uracil - Ethyne
REF: <B><span class="b">&Delta;</span>H<sub>f</sub>:</B>   -3.7 kcal/mol, <b>&nbsp;&nbsp;&nbsp; REF: </b> P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
32 Uracil - Ethyne
C7H9N             
        33 Pyridine - Ethylene
REF: <B><span class="b">&Delta;</span>H<sub>f</sub>:</B>   -1.9 kcal/mol, <b>&nbsp;&nbsp;&nbsp; REF: </b> P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
33 Pyridine - Ethylene
C10H24            
        34 Pentane - Pentane
REF: <B><span class="b">&Delta;</span>H<sub>f</sub>:</B>   -3.8 kcal/mol, <b>&nbsp;&nbsp;&nbsp; REF: </b> P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
34 Pentane - Pentane
C10H24            
        35 Neopentane - Pentane
REF: <B><span class="b">&Delta;</span>H<sub>f</sub>:</B>   -2.6 kcal/mol, <b>&nbsp;&nbsp;&nbsp; REF: </b> P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
35 Neopentane - Pentane
C10H24            
        36 Neopentane - Neopentane
REF: <B><span class="b">&Delta;</span>H<sub>f</sub>:</B>   -1.8 kcal/mol, <b>&nbsp;&nbsp;&nbsp; REF: </b> P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
36 Neopentane - Neopentane
C10H22            
        37 Cyclopentane - Neopentane
REF: <B><span class="b">&Delta;</span>H<sub>f</sub>:</B>   -2.4 kcal/mol, <b>&nbsp;&nbsp;&nbsp; REF: </b> P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
37 Cyclopentane - Neopentane
C10H20            
        38 Cyclopentane - Cyclopentane
REF: <B><span class="b">&Delta;</span>H<sub>f</sub>:</B>   -3.0 kcal/mol, <b>&nbsp;&nbsp;&nbsp; REF: </b> P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
38 Cyclopentane - Cyclopentane
C11H16            
        39 Benzene - Cyclopentane
REF: <B><span class="b">&Delta;</span>H<sub>f</sub>:</B>   -3.6 kcal/mol, <b>&nbsp;&nbsp;&nbsp; REF: </b> P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
39 Benzene - Cyclopentane
C11H18            
        40 Benzene - Neopentane
REF: <B><span class="b">&Delta;</span>H<sub>f</sub>:</B>   -2.9 kcal/mol, <b>&nbsp;&nbsp;&nbsp; REF: </b> P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
40 Benzene - Neopentane
C9H16N2O2         
        41 Uracil - Pentane
REF: <B><span class="b">&Delta;</span>H<sub>f</sub>:</B>   -4.8 kcal/mol, <b>&nbsp;&nbsp;&nbsp; REF: </b> P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
41 Uracil - Pentane
C9H14N2O2         
        42 Uracil - Cyclopentane
REF: <B><span class="b">&Delta;</span>H<sub>f</sub>:</B>   -4.1 kcal/mol, <b>&nbsp;&nbsp;&nbsp; REF: </b> P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
42 Uracil - Cyclopentane
C9H16N2O2         
        43 Uracil - Neopentane
REF: <B><span class="b">&Delta;</span>H<sub>f</sub>:</B>   -3.7 kcal/mol, <b>&nbsp;&nbsp;&nbsp; REF: </b> P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
43 Uracil - Neopentane
C7H16             
        44 Ethylene - Pentane
REF: <B><span class="b">&Delta;</span>H<sub>f</sub>:</B>   -2.0 kcal/mol, <b>&nbsp;&nbsp;&nbsp; REF: </b> P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
44 Ethylene - Pentane
C7H14             
        45 Ethyne - Pentane
REF: <B><span class="b">&Delta;</span>H<sub>f</sub>:</B>   -1.8 kcal/mol, <b>&nbsp;&nbsp;&nbsp; REF: </b> P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
45 Ethyne - Pentane
C8H19NO           
        46 Peptide - Pentane
REF: <B><span class="b">&Delta;</span>H<sub>f</sub>:</B>   -4.3 kcal/mol, <b>&nbsp;&nbsp;&nbsp; REF: </b> P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
46 Peptide - Pentane
C12H12            
        47 Benzene - Benzene (TS)
REF: <B><span class="b">&Delta;</span>H<sub>f</sub>:</B>   -2.9 kcal/mol, <b>&nbsp;&nbsp;&nbsp; REF: </b> P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
47 Benzene - Benzene (TS)
C10H10N2          
        48 Pyridine - Pyridine (TS)
REF: <B><span class="b">&Delta;</span>H<sub>f</sub>:</B>   -3.5 kcal/mol, <b>&nbsp;&nbsp;&nbsp; REF: </b> P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
48 Pyridine - Pyridine (TS)
C11H11N           
        49 Benzene - Pyridine (TS)
REF: <B><span class="b">&Delta;</span>H<sub>f</sub>:</B>   -3.3 kcal/mol, <b>&nbsp;&nbsp;&nbsp; REF: </b> P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
49 Benzene - Pyridine (TS)
C8H8              
        50 Benzene - Ethyne (CH - pi)
REF: <B><span class="b">&Delta;</span>H<sub>f</sub>:</B>   -2.9 kcal/mol, <b>&nbsp;&nbsp;&nbsp; REF: </b> P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
50 Benzene - Ethyne (CH - pi)
C4H4              
        51 Ethyne - Ethyne (TS)
REF: <B><span class="b">&Delta;</span>H<sub>f</sub>:</B>   -1.5 kcal/mol, <b>&nbsp;&nbsp;&nbsp; REF: </b> P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
51 Ethyne - Ethyne (TS)
C8H10O2           
        52 Benzene - AcOH (OH - pi)
REF: <B><span class="b">&Delta;</span>H<sub>f</sub>:</B>   -4.4 kcal/mol, <b>&nbsp;&nbsp;&nbsp; REF: </b> P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
52 Benzene - AcOH (OH - pi)
C8H11NO           
        53 Benzene - AcNH2 (NH - pi)
REF: <B><span class="b">&Delta;</span>H<sub>f</sub>:</B>   -3.3 kcal/mol, <b>&nbsp;&nbsp;&nbsp; REF: </b> P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
53 Benzene - AcNH2 (NH - pi)
C6H8O             
        54 Benzene - Water (OH - pi)
REF: <B><span class="b">&Delta;</span>H<sub>f</sub>:</B>   -4.2 kcal/mol, <b>&nbsp;&nbsp;&nbsp; REF: </b> P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
54 Benzene - Water (OH - pi)
C7H10O            
        55 Benzene - MeOH (OH - pi)
REF: <B><span class="b">&Delta;</span>H<sub>f</sub>:</B>   -4.7 kcal/mol, <b>&nbsp;&nbsp;&nbsp; REF: </b> P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
55 Benzene - MeOH (OH - pi)
C7H11N            
        56 Benzene - MeNH2 (NH - pi)
REF: <B><span class="b">&Delta;</span>H<sub>f</sub>:</B>   -3.2 kcal/mol, <b>&nbsp;&nbsp;&nbsp; REF: </b> P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
56 Benzene - MeNH2 (NH - pi)
C9H13NO           
        57 Benzene - Peptide (NH - pi)
REF: <B><span class="b">&Delta;</span>H<sub>f</sub>:</B>   -5.3 kcal/mol, <b>&nbsp;&nbsp;&nbsp; REF: </b> P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
57 Benzene - Peptide (NH - pi)
C10H10N2          
        58 Pyridine - Pyridine (CH - N)
REF: <B><span class="b">&Delta;</span>H<sub>f</sub>:</B>   -4.2 kcal/mol, <b>&nbsp;&nbsp;&nbsp; REF: </b> P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
58 Pyridine - Pyridine (CH - N)
C2H4O             
        59 Ethyne - Water
REF: <B><span class="b">&Delta;</span>H<sub>f</sub>:</B>   -2.9 kcal/mol, <b>&nbsp;&nbsp;&nbsp; REF: </b> P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
59 Ethyne - Water
C4H6O2            
        60 Ethyne - AcOH (OH-pi)
REF: <B><span class="b">&Delta;</span>H<sub>f</sub>:</B>   -4.9 kcal/mol, <b>&nbsp;&nbsp;&nbsp; REF: </b> P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
60 Ethyne - AcOH (OH-pi)
C7H16O2           
        61 Pentane - AcOH
REF: <B><span class="b">&Delta;</span>H<sub>f</sub>:</B>   -2.9 kcal/mol, <b>&nbsp;&nbsp;&nbsp; REF: </b> P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
61 Pentane - AcOH
C7H17NO           
        62 Pentane - AcNH2
REF: <B><span class="b">&Delta;</span>H<sub>f</sub>:</B>   -3.5 kcal/mol, <b>&nbsp;&nbsp;&nbsp; REF: </b> P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
62 Pentane - AcNH2
C8H10O2           
        63 Benzene - AcOH
REF: <B><span class="b">&Delta;</span>H<sub>f</sub>:</B>   -3.8 kcal/mol, <b>&nbsp;&nbsp;&nbsp; REF: </b> P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
63 Benzene - AcOH
C5H11NO           
        64 Peptide - Ethylene
REF: <B><span class="b">&Delta;</span>H<sub>f</sub>:</B>   -3.0 kcal/mol, <b>&nbsp;&nbsp;&nbsp; REF: </b> P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
64 Peptide - Ethylene
C7H7N             
        65 Pyridine - Ethyne
REF: <B><span class="b">&Delta;</span>H<sub>f</sub>:</B>   -4.0 kcal/mol, <b>&nbsp;&nbsp;&nbsp; REF: </b> P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
65 Pyridine - Ethyne
C6H10N2           
        66 MeNH2 - Pyridine
REF: <B><span class="b">&Delta;</span>H<sub>f</sub>:</B>   -4.0 kcal/mol, <b>&nbsp;&nbsp;&nbsp; REF: </b> P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
66 MeNH2 - Pyridine
C59H23N5          
        1 Circumcoronene adenine
REF: <B><span class="b">&Delta;</span>H<sub>f</sub>:</B>  -18.0 kcal/mol, <b>&nbsp;&nbsp;&nbsp; REF: </b> P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
1 Circumcoronene adenine
C63H28N8O2        
        2 Circumcoronene GC base pair
REF: <B><span class="b">&Delta;</span>H<sub>f</sub>:</B>  -31.3 kcal/mol, <b>&nbsp;&nbsp;&nbsp; REF: </b> P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
2 Circumcoronene GC base pair
C48H24            
        3 Coronene dimer
REF: <B><span class="b">&Delta;</span>H<sub>f</sub>:</B>  -23.2 kcal/mol, <b>&nbsp;&nbsp;&nbsp; REF: </b> P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
3 Coronene dimer
C18H20N16O4       
        4 GCGC base pair stack
REF: <B><span class="b">&Delta;</span>H<sub>f</sub>:</B>  -15.5 kcal/mol, <b>&nbsp;&nbsp;&nbsp; REF: </b> P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
4 GCGC base pair stack
C15H15N15O3       
        5 Guanine trimer
REF: <B><span class="b">&Delta;</span>H<sub>f</sub>:</B>   -2.1 kcal/mol, <b>&nbsp;&nbsp;&nbsp; REF: </b> P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
5 Guanine trimer
C36H76            
        6 Octadecane dimer
REF: <B><span class="b">&Delta;</span>H<sub>f</sub>:</B>  -13.0 kcal/mol, <b>&nbsp;&nbsp;&nbsp; REF: </b> P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
6 Octadecane dimer
C33H42N6O6        
        7 Phenylalanine residues trimer
REF: <B><span class="b">&Delta;</span>H<sub>f</sub>:</B>  -26.0 kcal/mol, <b>&nbsp;&nbsp;&nbsp; REF: </b> P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
7 Phenylalanine residues trimer
H4O2              
        water dimer structure 1 (non-planar open cs)
REF: <B><span class="b">&Delta;</span>H<sub>f</sub>:</B>    0.0 kcal/mol
Water dimer Structure 1 (Non-planar open Cs)
H4O2              
        water dimer structure 10 (planar bifurcated c2v)
REF: <B><span class="b">&Delta;</span>H<sub>f</sub>:</B>    2.7 kcal/mol, <b>&nbsp;&nbsp;&nbsp; REF: </b> G. S. Tschumper, M. L. Leininger, B. C. Hoffman, E. F. Valeev, H. F. Schaefer III, M. Quack, J. Chem. Phys. 116, 690 (2002)
Water dimer Structure 10 (Planar Bifurcated C2v)
H4O2              
        water dimer structure 2 (open ci)
REF: <B><span class="b">&Delta;</span>H<sub>f</sub>:</B>    0.5 kcal/mol, <b>&nbsp;&nbsp;&nbsp; REF: </b> G. S. Tschumper, M. L. Leininger, B. C. Hoffman, E. F. Valeev, H. F. Schaefer III, M. Quack, J. Chem. Phys. 116, 690 (2002)
Water dimer Structure 2 (Open Ci)
H4O2              
        water dimer structure 3 (planar open cs)
REF: <B><span class="b">&Delta;</span>H<sub>f</sub>:</B>    0.6 kcal/mol, <b>&nbsp;&nbsp;&nbsp; REF: </b> G. S. Tschumper, M. L. Leininger, B. C. Hoffman, E. F. Valeev, H. F. Schaefer III, M. Quack, J. Chem. Phys. 116, 690 (2002)
Water dimer Structure 3 (Planar Open Cs)
H4O2              
        water dimer structure 4 (cyclic ci)
REF: <B><span class="b">&Delta;</span>H<sub>f</sub>:</B>    0.7 kcal/mol, <b>&nbsp;&nbsp;&nbsp; REF: </b> G. S. Tschumper, M. L. Leininger, B. C. Hoffman, E. F. Valeev, H. F. Schaefer III, M. Quack, J. Chem. Phys. 116, 690 (2002)
Water dimer Structure 4 (Cyclic Ci)
H4O2              
        water dimer structure 5 (cyclic c2)
REF: <B><span class="b">&Delta;</span>H<sub>f</sub>:</B>    1.0 kcal/mol, <b>&nbsp;&nbsp;&nbsp; REF: </b> G. S. Tschumper, M. L. Leininger, B. C. Hoffman, E. F. Valeev, H. F. Schaefer III, M. Quack, J. Chem. Phys. 116, 690 (2002)
Water dimer Structure 5 (Cyclic C2)
H4O2              
        water dimer structure 6 (cyclic c2h)
REF: <B><span class="b">&Delta;</span>H<sub>f</sub>:</B>    1.0 kcal/mol, <b>&nbsp;&nbsp;&nbsp; REF: </b> G. S. Tschumper, M. L. Leininger, B. C. Hoffman, E. F. Valeev, H. F. Schaefer III, M. Quack, J. Chem. Phys. 116, 690 (2002)
Water dimer Structure 6 (Cyclic C2h)
H4O2              
        water dimer structure 7 (triply hydrogen bonded cs)
REF: <B><span class="b">&Delta;</span>H<sub>f</sub>:</B>    1.8 kcal/mol, <b>&nbsp;&nbsp;&nbsp; REF: </b> G. S. Tschumper, M. L. Leininger, B. C. Hoffman, E. F. Valeev, H. F. Schaefer III, M. Quack, J. Chem. Phys. 116, 690 (2002)
Water dimer Structure 7 (Triply Hydrogen Bonded Cs)
H4O2              
        water dimer structure 8 (non-planar bifurcated c2v)
REF: <B><span class="b">&Delta;</span>H<sub>f</sub>:</B>    3.6 kcal/mol, <b>&nbsp;&nbsp;&nbsp; REF: </b> G. S. Tschumper, M. L. Leininger, B. C. Hoffman, E. F. Valeev, H. F. Schaefer III, M. Quack, J. Chem. Phys. 116, 690 (2002)
Water dimer Structure 8 (Non-planar Bifurcated C2v)
H4O2              
        water dimer structure 9 (non-planar bifurcated c2v)
REF: <B><span class="b">&Delta;</span>H<sub>f</sub>:</B>    1.8 kcal/mol, <b>&nbsp;&nbsp;&nbsp; REF: </b> G. S. Tschumper, M. L. Leininger, B. C. Hoffman, E. F. Valeev, H. F. Schaefer III, M. Quack, J. Chem. Phys. 116, 690 (2002)
Water dimer Structure 9 (Non-planar Bifurcated C2v)
H2O               
        water
REF: <B><span class="b">&Delta;</span>H<sub>f</sub>:</B>  -57.8 kcal/mol, <b>&nbsp;&nbsp;&nbsp; REF: </b> M. W. Chase, C. A. Davies, J. R. Downey, D. R. Frurip, R. A. McDonald, A. N. Syverud, JANAF Thermochemical Tables, Third Edition, J. Phys. Chem. Ref. Data 14, Suppl. 1 (1985).
REF: <B>Dipole:</B>    1.9 Debye, <b>&nbsp;&nbsp;&nbsp; REF: </b> R. D. Nelson, D. R. Lide, A. A. Maryott, Nat. Stand. Ref. Data Set., Natl. Bur. Stand. No. 10 (1967).
REF: <B>I.P.:</B>   12.6 eV, <b>&nbsp;&nbsp;&nbsp; REF: </b> D. W. Turner, C. Baker, A. D. Baker, C. R. Brundle, "Molecular Photoelectron Spectroscopy," Wiley-Interscience, London, 1970.
Water
H2O               
        water_ref
REF: <B><span class="b">&Delta;</span>H<sub>f</sub>:</B>    0.0 kcal/mol
Water
C54H34N4          
        2a TCNA tweezer
REF: <B><span class="b">&Delta;</span>H<sub>f</sub>:</B>  -29.9 kcal/mol, <b>&nbsp;&nbsp;&nbsp; REF: </b> T. Risthaus and S. Grimme, Benchmarking of London Dispersion-Accounting Density Functional Theory Methods on Very Large Molecular Complexes. JCTC, 9, 1580 (2013)
2a TCNA tweezer
C50H34N2          
        2b DCB tweezer
REF: <B><span class="b">&Delta;</span>H<sub>f</sub>:</B>  -20.5 kcal/mol, <b>&nbsp;&nbsp;&nbsp; REF: </b> T. Risthaus and S. Grimme, Benchmarking of London Dispersion-Accounting Density Functional Theory Methods on Very Large Molecular Complexes. JCTC, 9, 1580 (2013)
2b DCB tweezer
C55H47N5O19       
        3a TNF pincer
REF: <B><span class="b">&Delta;</span>H<sub>f</sub>:</B>  -24.3 kcal/mol, <b>&nbsp;&nbsp;&nbsp; REF: </b> T. Risthaus and S. Grimme, Benchmarking of London Dispersion-Accounting Density Functional Theory Methods on Very Large Molecular Complexes. JCTC, 9, 1580 (2013)
3a TNF pincer
C48H44N5O15Cl     
        3b NDB pincer
REF: <B><span class="b">&Delta;</span>H<sub>f</sub>:</B>  -20.4 kcal/mol, <b>&nbsp;&nbsp;&nbsp; REF: </b> T. Risthaus and S. Grimme, Benchmarking of London Dispersion-Accounting Density Functional Theory Methods on Very Large Molecular Complexes. JCTC, 9, 1580 (2013)
3b NDB pincer
C120H28           
        4a C60 catcher
REF: <B><span class="b">&Delta;</span>H<sub>f</sub>:</B>  -27.5 kcal/mol, <b>&nbsp;&nbsp;&nbsp; REF: </b> T. Risthaus and S. Grimme, Benchmarking of London Dispersion-Accounting Density Functional Theory Methods on Very Large Molecular Complexes. JCTC, 9, 1580 (2013)
4a C60 catcher
C130H28           
        4b C70 catcher
REF: <B><span class="b">&Delta;</span>H<sub>f</sub>:</B>  -28.7 kcal/mol, <b>&nbsp;&nbsp;&nbsp; REF: </b> T. Risthaus and S. Grimme, Benchmarking of London Dispersion-Accounting Density Functional Theory Methods on Very Large Molecular Complexes. JCTC, 9, 1580 (2013)
4b C70 catcher
C62H68N8O6        
        5a GLH mcyle
REF: <B><span class="b">&Delta;</span>H<sub>f</sub>:</B>  -34.8 kcal/mol, <b>&nbsp;&nbsp;&nbsp; REF: </b> T. Risthaus and S. Grimme, Benchmarking of London Dispersion-Accounting Density Functional Theory Methods on Very Large Molecular Complexes. JCTC, 9, 1580 (2013)
5a GLH mcyle
C64H66N6O6        
        5b BQ mcyle
REF: <B><span class="b">&Delta;</span>H<sub>f</sub>:</B>  -21.3 kcal/mol, <b>&nbsp;&nbsp;&nbsp; REF: </b> T. Risthaus and S. Grimme, Benchmarking of London Dispersion-Accounting Density Functional Theory Methods on Very Large Molecular Complexes. JCTC, 9, 1580 (2013)
5b BQ mcyle
C40H48N25O12      
        6a BuNH4 CB6
REF: <B><span class="b">&Delta;</span>H<sub>f</sub>:</B>  -77.4 kcal/mol, <b>&nbsp;&nbsp;&nbsp; REF: </b> T. Risthaus and S. Grimme, Benchmarking of London Dispersion-Accounting Density Functional Theory Methods on Very Large Molecular Complexes. JCTC, 9, 1580 (2013)
6a BuNH4 CB6
C39H46N25O12      
        6b PrNH4 CB6
REF: <B><span class="b">&Delta;</span>H<sub>f</sub>:</B>  -77.0 kcal/mol, <b>&nbsp;&nbsp;&nbsp; REF: </b> T. Risthaus and S. Grimme, Benchmarking of London Dispersion-Accounting Density Functional Theory Methods on Very Large Molecular Complexes. JCTC, 9, 1580 (2013)
6b PrNH4 CB6
C60H72N30O14Fe    
        7a FECP CB7
REF: <B><span class="b">&Delta;</span>H<sub>f</sub>:</B> -131.5 kcal/mol, <b>&nbsp;&nbsp;&nbsp; REF: </b> T. Risthaus and S. Grimme, Benchmarking of London Dispersion-Accounting Density Functional Theory Methods on Very Large Molecular Complexes. JCTC, 9, 1580 (2013)
7a FECP CB7
C52H58N28O15      
        7b ADOH CB7
REF: <B><span class="b">&Delta;</span>H<sub>f</sub>:</B>  -22.6 kcal/mol, <b>&nbsp;&nbsp;&nbsp; REF: </b> T. Risthaus and S. Grimme, Benchmarking of London Dispersion-Accounting Density Functional Theory Methods on Very Large Molecular Complexes. JCTC, 9, 1580 (2013)
7b ADOH CB7
CH4F2             
        01 Methane - F2
REF: <B><span class="b">&Delta;</span>H<sub>f</sub>:</B>   -0.5 kcal/mol, <b>&nbsp;&nbsp;&nbsp; REF: </b> P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
01 Methane - F2
CH4Cl2            
        02 Methane - Cl2
REF: <B><span class="b">&Delta;</span>H<sub>f</sub>:</B>   -1.0 kcal/mol, <b>&nbsp;&nbsp;&nbsp; REF: </b> P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
02 Methane - Cl2
CH4Br2            
        03 Methane - Br2
REF: <B><span class="b">&Delta;</span>H<sub>f</sub>:</B>   -1.3 kcal/mol, <b>&nbsp;&nbsp;&nbsp; REF: </b> P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
03 Methane - Br2
CH4I2             
        04 Methane - I2
REF: <B><span class="b">&Delta;</span>H<sub>f</sub>:</B>   -1.5 kcal/mol, <b>&nbsp;&nbsp;&nbsp; REF: </b> P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
04 Methane - I2
C2H7F             
        05 Fluoromethane - methane
REF: <B><span class="b">&Delta;</span>H<sub>f</sub>:</B>   -0.6 kcal/mol, <b>&nbsp;&nbsp;&nbsp; REF: </b> P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
05 Fluoromethane - methane
C2H7Cl            
        06 Chloromethane - methane
REF: <B><span class="b">&Delta;</span>H<sub>f</sub>:</B>   -0.9 kcal/mol, <b>&nbsp;&nbsp;&nbsp; REF: </b> P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
06 Chloromethane - methane
C2H5F3            
        07 Trifluoromethane - methane
REF: <B><span class="b">&Delta;</span>H<sub>f</sub>:</B>   -0.4 kcal/mol, <b>&nbsp;&nbsp;&nbsp; REF: </b> P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
07 Trifluoromethane - methane
C2H5Cl3           
        08 Trichloromethane - methane
REF: <B><span class="b">&Delta;</span>H<sub>f</sub>:</B>   -1.1 kcal/mol, <b>&nbsp;&nbsp;&nbsp; REF: </b> P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
08 Trichloromethane - methane
C2H6F2            
        09 Fluoromethane dimer
REF: <B><span class="b">&Delta;</span>H<sub>f</sub>:</B>   -1.2 kcal/mol, <b>&nbsp;&nbsp;&nbsp; REF: </b> P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
09 Fluoromethane dimer
C2H6Cl2           
        10 Chloromethane dimer
REF: <B><span class="b">&Delta;</span>H<sub>f</sub>:</B>   -1.1 kcal/mol, <b>&nbsp;&nbsp;&nbsp; REF: </b> P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
10 Chloromethane dimer
C12H9F3           
        11 Trifluorobenzene - benzene
REF: <B><span class="b">&Delta;</span>H<sub>f</sub>:</B>   -4.9 kcal/mol, <b>&nbsp;&nbsp;&nbsp; REF: </b> P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
11 Trifluorobenzene - benzene
C12H6F6           
        12 Hexafluorobenzene - benzene
REF: <B><span class="b">&Delta;</span>H<sub>f</sub>:</B>   -6.6 kcal/mol, <b>&nbsp;&nbsp;&nbsp; REF: </b> P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
12 Hexafluorobenzene - benzene
C2H5OCl           
        13 Chloromethane - formaldehyde
REF: <B><span class="b">&Delta;</span>H<sub>f</sub>:</B>   -1.0 kcal/mol, <b>&nbsp;&nbsp;&nbsp; REF: </b> P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
13 Chloromethane - formaldehyde
C2H5OBr           
        14 Bromomethane - formaldehyde
REF: <B><span class="b">&Delta;</span>H<sub>f</sub>:</B>   -1.6 kcal/mol, <b>&nbsp;&nbsp;&nbsp; REF: </b> P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
14 Bromomethane - formaldehyde
C2H5OI            
        15 Iodomethane - formaldehyde
REF: <B><span class="b">&Delta;</span>H<sub>f</sub>:</B>   -2.6 kcal/mol, <b>&nbsp;&nbsp;&nbsp; REF: </b> P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
15 Iodomethane - formaldehyde
C2H2OF3Cl         
        16 Trifluorochloromethane - formaldehyde
REF: <B><span class="b">&Delta;</span>H<sub>f</sub>:</B>   -2.0 kcal/mol, <b>&nbsp;&nbsp;&nbsp; REF: </b> P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
16 Trifluorochloromethane - formaldehyde
C2H2OF3Br         
        17 Trifluorobromomethane - formaldehyde
REF: <B><span class="b">&Delta;</span>H<sub>f</sub>:</B>   -2.8 kcal/mol, <b>&nbsp;&nbsp;&nbsp; REF: </b> P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
17 Trifluorobromomethane - formaldehyde
C2H2OF3I          
        18 Trifluoroiodomethane - formaldehyde
REF: <B><span class="b">&Delta;</span>H<sub>f</sub>:</B>   -4.1 kcal/mol, <b>&nbsp;&nbsp;&nbsp; REF: </b> P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
18 Trifluoroiodomethane - formaldehyde
C7H9Br            
        27 Bromomethane - benzene
REF: <B><span class="b">&Delta;</span>H<sub>f</sub>:</B>   -2.0 kcal/mol, <b>&nbsp;&nbsp;&nbsp; REF: </b> P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
27 Bromomethane - benzene
C7H9I             
        28 Iodomethane - benzene
REF: <B><span class="b">&Delta;</span>H<sub>f</sub>:</B>   -3.1 kcal/mol, <b>&nbsp;&nbsp;&nbsp; REF: </b> P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
28 Iodomethane - benzene
C7H6F3Br          
        29 Trifluorobromomethane - benzene
REF: <B><span class="b">&Delta;</span>H<sub>f</sub>:</B>   -3.1 kcal/mol, <b>&nbsp;&nbsp;&nbsp; REF: </b> P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
29 Trifluorobromomethane - benzene
C7H6F3I           
        30 Trifluoroiodomethane - benzene
REF: <B><span class="b">&Delta;</span>H<sub>f</sub>:</B>   -4.5 kcal/mol, <b>&nbsp;&nbsp;&nbsp; REF: </b> P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
30 Trifluoroiodomethane - benzene
CH3O2F3           
        31 Trifluoromethanol - water
REF: <B><span class="b">&Delta;</span>H<sub>f</sub>:</B>   -9.6 kcal/mol, <b>&nbsp;&nbsp;&nbsp; REF: </b> P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
31 Trifluoromethanol - water
CH3O2Cl3          
        32 Trichloromethanol - water
REF: <B><span class="b">&Delta;</span>H<sub>f</sub>:</B>  -10.8 kcal/mol, <b>&nbsp;&nbsp;&nbsp; REF: </b> P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
32 Trichloromethanol - water
CH5OF             
        33 HF - methanol
REF: <B><span class="b">&Delta;</span>H<sub>f</sub>:</B>   -9.7 kcal/mol, <b>&nbsp;&nbsp;&nbsp; REF: </b> P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
33 HF - methanol
CH5OCl            
        34 HCl - methanol
REF: <B><span class="b">&Delta;</span>H<sub>f</sub>:</B>   -6.4 kcal/mol, <b>&nbsp;&nbsp;&nbsp; REF: </b> P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
34 HCl - methanol
CH5OBr            
        35 HBr - methanol
REF: <B><span class="b">&Delta;</span>H<sub>f</sub>:</B>   -5.6 kcal/mol, <b>&nbsp;&nbsp;&nbsp; REF: </b> P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
35 HBr - methanol
CH5OI             
        36 HI - methanol
REF: <B><span class="b">&Delta;</span>H<sub>f</sub>:</B>   -4.1 kcal/mol, <b>&nbsp;&nbsp;&nbsp; REF: </b> P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
36 HI - methanol
CH6NF             
        37 HF - methylamine
REF: <B><span class="b">&Delta;</span>H<sub>f</sub>:</B>  -15.0 kcal/mol, <b>&nbsp;&nbsp;&nbsp; REF: </b> P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
37 HF - methylamine
CH6NCl            
        38 HCl - methylamine
REF: <B><span class="b">&Delta;</span>H<sub>f</sub>:</B>  -12.7 kcal/mol, <b>&nbsp;&nbsp;&nbsp; REF: </b> P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
38 HCl - methylamine
C2H7OF            
        39 methanol - fluoromethane
REF: <B><span class="b">&Delta;</span>H<sub>f</sub>:</B>   -3.5 kcal/mol, <b>&nbsp;&nbsp;&nbsp; REF: </b> P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
39 methanol - fluoromethane
C2H7OCl           
        40 methanol - chloromethane
REF: <B><span class="b">&Delta;</span>H<sub>f</sub>:</B>   -3.7 kcal/mol, <b>&nbsp;&nbsp;&nbsp; REF: </b> P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
40 methanol - chloromethane
C3H7O3            
        acetate ... methanol
REF: <B><span class="b">&Delta;</span>H<sub>f</sub>:</B>  -19.8 kcal/mol, <b>&nbsp;&nbsp;&nbsp; REF: </b>Jan Rezac and Pavel Hobza, "Advanced Corrections of Hydrogen Bonding and Dispersion for Semiempirical Quantum Mechanical Methods" J. Chem. Theory Comput., 2011, 8, 141-151
acetate ... methanol
C3H8NO2           
        acetate ... methylamine
REF: <B><span class="b">&Delta;</span>H<sub>f</sub>:</B>  -11.5 kcal/mol, <b>&nbsp;&nbsp;&nbsp; REF: </b>Jan Rezac and Pavel Hobza, "Advanced Corrections of Hydrogen Bonding and Dispersion for Semiempirical Quantum Mechanical Methods" J. Chem. Theory Comput., 2011, 8, 141-151
acetate ... methylamine
C2H5O3            
        acetate ... water
REF: <B><span class="b">&Delta;</span>H<sub>f</sub>:</B>  -21.1 kcal/mol, <b>&nbsp;&nbsp;&nbsp; REF: </b>Jan Rezac and Pavel Hobza, "Advanced Corrections of Hydrogen Bonding and Dispersion for Semiempirical Quantum Mechanical Methods" J. Chem. Theory Comput., 2011, 8, 141-151
acetate ... water
C2H8N3O           
        guanidinium ... formaldehyde
REF: <B><span class="b">&Delta;</span>H<sub>f</sub>:</B>  -18.1 kcal/mol, <b>&nbsp;&nbsp;&nbsp; REF: </b>Jan Rezac and Pavel Hobza, "Advanced Corrections of Hydrogen Bonding and Dispersion for Semiempirical Quantum Mechanical Methods" J. Chem. Theory Comput., 2011, 8, 141-151
guanidinium ... formaldehyde
C2H10N3O          
        guanidinium ... methanol
REF: <B><span class="b">&Delta;</span>H<sub>f</sub>:</B>  -19.8 kcal/mol, <b>&nbsp;&nbsp;&nbsp; REF: </b>Jan Rezac and Pavel Hobza, "Advanced Corrections of Hydrogen Bonding and Dispersion for Semiempirical Quantum Mechanical Methods" J. Chem. Theory Comput., 2011, 8, 141-151
guanidinium ... methanol
C2H11N4           
        guanidinium ... methylamine
REF: <B><span class="b">&Delta;</span>H<sub>f</sub>:</B>  -20.2 kcal/mol, <b>&nbsp;&nbsp;&nbsp; REF: </b>Jan Rezac and Pavel Hobza, "Advanced Corrections of Hydrogen Bonding and Dispersion for Semiempirical Quantum Mechanical Methods" J. Chem. Theory Comput., 2011, 8, 141-151
guanidinium ... methylamine
CH8N3O            
        guanidinium ... water
REF: <B><span class="b">&Delta;</span>H<sub>f</sub>:</B>  -17.5 kcal/mol, <b>&nbsp;&nbsp;&nbsp; REF: </b>Jan Rezac and Pavel Hobza, "Advanced Corrections of Hydrogen Bonding and Dispersion for Semiempirical Quantum Mechanical Methods" J. Chem. Theory Comput., 2011, 8, 141-151
guanidinium ... water
C4H7N2O           
        imidazolium ... formaldehyde
REF: <B><span class="b">&Delta;</span>H<sub>f</sub>:</B>  -16.4 kcal/mol, <b>&nbsp;&nbsp;&nbsp; REF: </b>Jan Rezac and Pavel Hobza, "Advanced Corrections of Hydrogen Bonding and Dispersion for Semiempirical Quantum Mechanical Methods" J. Chem. Theory Comput., 2011, 8, 141-151
imidazolium ... formaldehyde
C4H9N2O           
        imidazolium ... methanol
REF: <B><span class="b">&Delta;</span>H<sub>f</sub>:</B>  -18.9 kcal/mol, <b>&nbsp;&nbsp;&nbsp; REF: </b>Jan Rezac and Pavel Hobza, "Advanced Corrections of Hydrogen Bonding and Dispersion for Semiempirical Quantum Mechanical Methods" J. Chem. Theory Comput., 2011, 8, 141-151
imidazolium ... methanol
C4H10N3           
        imidazolium ... methylamine
REF: <B><span class="b">&Delta;</span>H<sub>f</sub>:</B>  -26.0 kcal/mol, <b>&nbsp;&nbsp;&nbsp; REF: </b>Jan Rezac and Pavel Hobza, "Advanced Corrections of Hydrogen Bonding and Dispersion for Semiempirical Quantum Mechanical Methods" J. Chem. Theory Comput., 2011, 8, 141-151
imidazolium ... methylamine
C3H7N2O           
        imidazolium ... water
REF: <B><span class="b">&Delta;</span>H<sub>f</sub>:</B>  -16.5 kcal/mol, <b>&nbsp;&nbsp;&nbsp; REF: </b>Jan Rezac and Pavel Hobza, "Advanced Corrections of Hydrogen Bonding and Dispersion for Semiempirical Quantum Mechanical Methods" J. Chem. Theory Comput., 2011, 8, 141-151
imidazolium ... water
C2H8NO            
        methylammonium ... formaldehyde
REF: <B><span class="b">&Delta;</span>H<sub>f</sub>:</B>  -19.1 kcal/mol, <b>&nbsp;&nbsp;&nbsp; REF: </b>Jan Rezac and Pavel Hobza, "Advanced Corrections of Hydrogen Bonding and Dispersion for Semiempirical Quantum Mechanical Methods" J. Chem. Theory Comput., 2011, 8, 141-151
methylammonium ... formaldehyde
C2H10NO           
        methylammonium ... methanol
REF: <B><span class="b">&Delta;</span>H<sub>f</sub>:</B>  -21.2 kcal/mol, <b>&nbsp;&nbsp;&nbsp; REF: </b>Jan Rezac and Pavel Hobza, "Advanced Corrections of Hydrogen Bonding and Dispersion for Semiempirical Quantum Mechanical Methods" J. Chem. Theory Comput., 2011, 8, 141-151
methylammonium ... methanol
C2H11N2           
        methylammonium ... methylamine
REF: <B><span class="b">&Delta;</span>H<sub>f</sub>:</B>  -28.6 kcal/mol, <b>&nbsp;&nbsp;&nbsp; REF: </b>Jan Rezac and Pavel Hobza, "Advanced Corrections of Hydrogen Bonding and Dispersion for Semiempirical Quantum Mechanical Methods" J. Chem. Theory Comput., 2011, 8, 141-151
methylammonium ... methylamine
CH8NO             
        methylammonium ... water
REF: <B><span class="b">&Delta;</span>H<sub>f</sub>:</B>  -18.5 kcal/mol, <b>&nbsp;&nbsp;&nbsp; REF: </b>Jan Rezac and Pavel Hobza, "Advanced Corrections of Hydrogen Bonding and Dispersion for Semiempirical Quantum Mechanical Methods" J. Chem. Theory Comput., 2011, 8, 141-151
methylammonium ... water
H4                
        rep739sys001g03pt100ab
rep739sys001g03pt100ab
C2H4              
        rep739sys001g05pt100ab
rep739sys001g05pt100ab
C4H4              
        rep739sys001g06pt100ab
rep739sys001g06pt100ab
H3F               
        rep739sys001g08pt100ab
rep739sys001g08pt100ab
C2H3F             
        rep739sys001g09pt100ab
rep739sys001g09pt100ab
H2F2              
        rep739sys001g10pt100ab
rep739sys001g10pt100ab
CH6               
        rep739sys001g12pt100ab
rep739sys001g12pt100ab
C3H6              
        rep739sys001g13pt100ab
rep739sys001g13pt100ab
CH5F              
        rep739sys001g14pt100ab
rep739sys001g14pt100ab
C2H8              
        rep739sys001g15pt100ab
rep739sys001g15pt100ab
C6H8              
        rep739sys002g02pt100ab
rep739sys002g02pt100ab
C2H6              
        rep739sys002g04pt100ab
rep739sys002g04pt100ab
C2H4              
        rep739sys002g06pt100ab
rep739sys002g06pt100ab
C8H8              
        rep739sys002g07pt100ab
rep739sys002g07pt100ab
C4H6              
        rep739sys002g08pt100ab
rep739sys002g08pt100ab
C4H4              
        rep739sys002g09pt100ab
rep739sys002g09pt100ab
C6H7F             
        rep739sys002g10pt100ab
rep739sys002g10pt100ab
C2H5F             
        rep739sys002g11pt100ab
rep739sys002g11pt100ab
C2H3F             
        rep739sys002g12pt100ab
rep739sys002g12pt100ab
CH6               
        rep739sys002g14pt100ab
rep739sys002g14pt100ab
C3H6              
        rep739sys002g15pt100ab
rep739sys002g15pt100ab
CH5F              
        rep739sys002g16pt100ab
rep739sys002g16pt100ab
C7H10             
        rep739sys002g17pt100ab
rep739sys002g17pt100ab
C3H8              
        rep739sys002g18pt100ab
rep739sys002g18pt100ab
C3H6              
        rep739sys002g19pt100ab
rep739sys002g19pt100ab
C2H8              
        rep739sys002g20pt100ab
rep739sys002g20pt100ab
C12H12            
        rep739sys003g01pt100ab
rep739sys003g01pt100ab
C8H10             
        rep739sys003g02pt100ab
rep739sys003g02pt100ab
C4H8              
        rep739sys003g03pt100ab
rep739sys003g03pt100ab
C8H8              
        rep739sys003g04pt100ab
rep739sys003g04pt100ab
C4H6              
        rep739sys003g05pt100ab
rep739sys003g05pt100ab
C4H4              
        rep739sys003g06pt100ab
rep739sys003g06pt100ab
C7H10             
        rep739sys003g07pt100ab
rep739sys003g07pt100ab
C3H8              
        rep739sys003g08pt100ab
rep739sys003g08pt100ab
C3H6              
        rep739sys003g09pt100ab
rep739sys003g09pt100ab
C2H8              
        rep739sys003g10pt100ab
rep739sys003g10pt100ab
H5N               
        rep739sys004g02pt100ab
rep739sys004g02pt100ab
C2H5N             
        rep739sys004g03pt100ab
rep739sys004g03pt100ab
CH3N              
        rep739sys004g05pt100ab
rep739sys004g05pt100ab
C3H3N             
        rep739sys004g06pt100ab
rep739sys004g06pt100ab
H4NF              
        rep739sys004g07pt100ab
rep739sys004g07pt100ab
CH2NF             
        rep739sys004g08pt100ab
rep739sys004g08pt100ab
CH7N              
        rep739sys004g09pt100ab
rep739sys004g09pt100ab
C2H5N             
        rep739sys004g10pt100ab
rep739sys004g10pt100ab
CH7N              
        rep739sys004g12pt100ab
rep739sys004g12pt100ab
C3H7N             
        rep739sys004g13pt100ab
rep739sys004g13pt100ab
CH6NF             
        rep739sys004g14pt100ab
rep739sys004g14pt100ab
C2H9N             
        rep739sys004g15pt100ab
rep739sys004g15pt100ab
CH5NO2            
        rep739sys004g17pt100ab
rep739sys004g17pt100ab
C3H5NO2           
        rep739sys004g18pt100ab
rep739sys004g18pt100ab
CH4NO2F           
        rep739sys004g19pt100ab
rep739sys004g19pt100ab
C2H7NO2           
        rep739sys004g20pt100ab
rep739sys004g20pt100ab
C5H7N             
        rep739sys004g22pt100ab
rep739sys004g22pt100ab
C7H7N             
        rep739sys004g23pt100ab
rep739sys004g23pt100ab
C5H6NF            
        rep739sys004g24pt100ab
rep739sys004g24pt100ab
C6H9N             
        rep739sys004g25pt100ab
rep739sys004g25pt100ab
C6H9N             
        rep739sys005g01pt100ab
rep739sys005g01pt100ab
C2H7N             
        rep739sys005g02pt100ab
rep739sys005g02pt100ab
C2H5N             
        rep739sys005g03pt100ab
rep739sys005g03pt100ab
C7H7N             
        rep739sys005g04pt100ab
rep739sys005g04pt100ab
C3H5N             
        rep739sys005g05pt100ab
rep739sys005g05pt100ab
C3H3N             
        rep739sys005g06pt100ab
rep739sys005g06pt100ab
CH7N              
        rep739sys005g07pt100ab
rep739sys005g07pt100ab
C2H5N             
        rep739sys005g08pt100ab
rep739sys005g08pt100ab
C7H11N            
        rep739sys005g09pt100ab
rep739sys005g09pt100ab
C3H9N             
        rep739sys005g10pt100ab
rep739sys005g10pt100ab
C3H7N             
        rep739sys005g11pt100ab
rep739sys005g11pt100ab
C2H9N             
        rep739sys005g12pt100ab
rep739sys005g12pt100ab
C7H9NO2           
        rep739sys005g13pt100ab
rep739sys005g13pt100ab
C3H7NO2           
        rep739sys005g14pt100ab
rep739sys005g14pt100ab
C3H5NO2           
        rep739sys005g15pt100ab
rep739sys005g15pt100ab
C2H7NO2           
        rep739sys005g16pt100ab
rep739sys005g16pt100ab
C11H11N           
        rep739sys005g17pt100ab
rep739sys005g17pt100ab
C7H9N             
        rep739sys005g18pt100ab
rep739sys005g18pt100ab
C7H7N             
        rep739sys005g19pt100ab
rep739sys005g19pt100ab
C6H9N             
        rep739sys005g20pt100ab
rep739sys005g20pt100ab
H6N2              
        rep739sys006g01pt100ab
rep739sys006g01pt100ab
CH4N2             
        rep739sys006g02pt100ab
rep739sys006g02pt100ab
C2H2N2            
        rep739sys006g03pt100ab
rep739sys006g03pt100ab
CH8N2             
        rep739sys006g04pt100ab
rep739sys006g04pt100ab
C2H6N2            
        rep739sys006g05pt100ab
rep739sys006g05pt100ab
C2H10N2           
        rep739sys006g06pt100ab
rep739sys006g06pt100ab
CH6N2O2           
        rep739sys006g07pt100ab
rep739sys006g07pt100ab
C2H4N2O2          
        rep739sys006g08pt100ab
rep739sys006g08pt100ab
C2H8N2O2          
        rep739sys006g09pt100ab
rep739sys006g09pt100ab
C5H8N2            
        rep739sys006g10pt100ab
rep739sys006g10pt100ab
C6H6N2            
        rep739sys006g11pt100ab
rep739sys006g11pt100ab
C6H10N2           
        rep739sys006g12pt100ab
rep739sys006g12pt100ab
C6H8N2O2          
        rep739sys006g13pt100ab
rep739sys006g13pt100ab
C10H10N2          
        rep739sys006g14pt100ab
rep739sys006g14pt100ab
C3H8O             
        rep739sys007g02pt100ab
rep739sys007g02pt100ab
C5H8O             
        rep739sys007g03pt100ab
rep739sys007g03pt100ab
C4H6O             
        rep739sys007g05pt100ab
rep739sys007g05pt100ab
C6H6O             
        rep739sys007g06pt100ab
rep739sys007g06pt100ab
C3H7OF            
        rep739sys007g07pt100ab
rep739sys007g07pt100ab
C4H5OF            
        rep739sys007g08pt100ab
rep739sys007g08pt100ab
C4H10O            
        rep739sys007g09pt100ab
rep739sys007g09pt100ab
C5H8O             
        rep739sys007g10pt100ab
rep739sys007g10pt100ab
CH6O              
        rep739sys007g12pt100ab
rep739sys007g12pt100ab
C3H6O             
        rep739sys007g13pt100ab
rep739sys007g13pt100ab
CH5OF             
        rep739sys007g14pt100ab
rep739sys007g14pt100ab
C2H8O             
        rep739sys007g15pt100ab
rep739sys007g15pt100ab
H4O               
        rep739sys007g17pt100ab
rep739sys007g17pt100ab
C2H4O             
        rep739sys007g18pt100ab
rep739sys007g18pt100ab
H3OF              
        rep739sys007g19pt100ab
rep739sys007g19pt100ab
CH6O              
        rep739sys007g20pt100ab
rep739sys007g20pt100ab
C9H12O            
        rep739sys008g01pt100ab
rep739sys008g01pt100ab
C5H10O            
        rep739sys008g02pt100ab
rep739sys008g02pt100ab
C5H8O             
        rep739sys008g03pt100ab
rep739sys008g03pt100ab
C10H10O           
        rep739sys008g04pt100ab
rep739sys008g04pt100ab
C6H8O             
        rep739sys008g05pt100ab
rep739sys008g05pt100ab
C6H6O             
        rep739sys008g06pt100ab
rep739sys008g06pt100ab
C4H10O            
        rep739sys008g07pt100ab
rep739sys008g07pt100ab
C5H8O             
        rep739sys008g08pt100ab
rep739sys008g08pt100ab
C7H10O            
        rep739sys008g09pt100ab
rep739sys008g09pt100ab
C3H8O             
        rep739sys008g10pt100ab
rep739sys008g10pt100ab
C3H6O             
        rep739sys008g11pt100ab
rep739sys008g11pt100ab
C2H8O             
        rep739sys008g12pt100ab
rep739sys008g12pt100ab
C6H8O             
        rep739sys008g13pt100ab
rep739sys008g13pt100ab
C2H6O             
        rep739sys008g14pt100ab
rep739sys008g14pt100ab
C2H4O             
        rep739sys008g15pt100ab
rep739sys008g15pt100ab
CH6O              
        rep739sys008g16pt100ab
rep739sys008g16pt100ab
C3H9NO            
        rep739sys009g01pt100ab
rep739sys009g01pt100ab
C4H7NO            
        rep739sys009g02pt100ab
rep739sys009g02pt100ab
C4H7NO            
        rep739sys009g03pt100ab
rep739sys009g03pt100ab
C5H5NO            
        rep739sys009g04pt100ab
rep739sys009g04pt100ab
CH7NO             
        rep739sys009g05pt100ab
rep739sys009g05pt100ab
C2H5NO            
        rep739sys009g06pt100ab
rep739sys009g06pt100ab
C4H11NO           
        rep739sys009g07pt100ab
rep739sys009g07pt100ab
C5H9NO            
        rep739sys009g08pt100ab
rep739sys009g08pt100ab
C2H9NO            
        rep739sys009g09pt100ab
rep739sys009g09pt100ab
C4H9NO3           
        rep739sys009g10pt100ab
rep739sys009g10pt100ab
C5H7NO3           
        rep739sys009g11pt100ab
rep739sys009g11pt100ab
C2H7NO3           
        rep739sys009g12pt100ab
rep739sys009g12pt100ab
C8H11NO           
        rep739sys009g13pt100ab
rep739sys009g13pt100ab
C9H9NO            
        rep739sys009g14pt100ab
rep739sys009g14pt100ab
C6H9NO            
        rep739sys009g15pt100ab
rep739sys009g15pt100ab
H5NO              
        rep739sys009g16pt100ab
rep739sys009g16pt100ab
CH3NO             
        rep739sys009g17pt100ab
rep739sys009g17pt100ab
CH7NO             
        rep739sys009g18pt100ab
rep739sys009g18pt100ab
CH5NO3            
        rep739sys009g19pt100ab
rep739sys009g19pt100ab
C5H7NO            
        rep739sys009g20pt100ab
rep739sys009g20pt100ab
C6H12O2           
        rep739sys010g01pt100ab
rep739sys010g01pt100ab
C7H10O2           
        rep739sys010g02pt100ab
rep739sys010g02pt100ab
C8H8O2            
        rep739sys010g03pt100ab
rep739sys010g03pt100ab
C4H10O2           
        rep739sys010g04pt100ab
rep739sys010g04pt100ab
C5H8O2            
        rep739sys010g05pt100ab
rep739sys010g05pt100ab
C2H8O2            
        rep739sys010g06pt100ab
rep739sys010g06pt100ab
C3H8O2            
        rep739sys010g07pt100ab
rep739sys010g07pt100ab
C4H6O2            
        rep739sys010g08pt100ab
rep739sys010g08pt100ab
CH6O2             
        rep739sys010g09pt100ab
rep739sys010g09pt100ab
H4O2              
        rep739sys010g10pt100ab
rep739sys010g10pt100ab
C2H7P             
        rep739sys011g02pt100ab
rep739sys011g02pt100ab
C4H7P             
        rep739sys011g03pt100ab
rep739sys011g03pt100ab
C2H6FP            
        rep739sys011g04pt100ab
rep739sys011g04pt100ab
C3H9P             
        rep739sys011g05pt100ab
rep739sys011g05pt100ab
H5P               
        rep739sys011g07pt100ab
rep739sys011g07pt100ab
C2H5P             
        rep739sys011g08pt100ab
rep739sys011g08pt100ab
H4FP              
        rep739sys011g09pt100ab
rep739sys011g09pt100ab
CH7P              
        rep739sys011g10pt100ab
rep739sys011g10pt100ab
C3H11P            
        rep739sys011g12pt100ab
rep739sys011g12pt100ab
C5H11P            
        rep739sys011g13pt100ab
rep739sys011g13pt100ab
C3H10FP           
        rep739sys011g14pt100ab
rep739sys011g14pt100ab
C4H13P            
        rep739sys011g15pt100ab
rep739sys011g15pt100ab
C8H11P            
        rep739sys012g01pt100ab
rep739sys012g01pt100ab
C4H9P             
        rep739sys012g02pt100ab
rep739sys012g02pt100ab
C4H7P             
        rep739sys012g03pt100ab
rep739sys012g03pt100ab
C3H9P             
        rep739sys012g04pt100ab
rep739sys012g04pt100ab
C6H9P             
        rep739sys012g05pt100ab
rep739sys012g05pt100ab
C2H7P             
        rep739sys012g06pt100ab
rep739sys012g06pt100ab
C2H5P             
        rep739sys012g07pt100ab
rep739sys012g07pt100ab
CH7P              
        rep739sys012g08pt100ab
rep739sys012g08pt100ab
C9H15P            
        rep739sys012g09pt100ab
rep739sys012g09pt100ab
C5H13P            
        rep739sys012g10pt100ab
rep739sys012g10pt100ab
C5H11P            
        rep739sys012g11pt100ab
rep739sys012g11pt100ab
C4H13P            
        rep739sys012g12pt100ab
rep739sys012g12pt100ab
C2H8NP            
        rep739sys013g01pt100ab
rep739sys013g01pt100ab
C3H6NP            
        rep739sys013g02pt100ab
rep739sys013g02pt100ab
C3H10NP           
        rep739sys013g03pt100ab
rep739sys013g03pt100ab
H6NP              
        rep739sys013g04pt100ab
rep739sys013g04pt100ab
CH4NP             
        rep739sys013g05pt100ab
rep739sys013g05pt100ab
CH8NP             
        rep739sys013g06pt100ab
rep739sys013g06pt100ab
CH6NO2P           
        rep739sys013g07pt100ab
rep739sys013g07pt100ab
C7H10NP           
        rep739sys013g08pt100ab
rep739sys013g08pt100ab
C5H8NP            
        rep739sys013g09pt100ab
rep739sys013g09pt100ab
C3H12NP           
        rep739sys013g10pt100ab
rep739sys013g10pt100ab
C4H10NP           
        rep739sys013g11pt100ab
rep739sys013g11pt100ab
C4H14NP           
        rep739sys013g12pt100ab
rep739sys013g12pt100ab
C4H12NO2P         
        rep739sys013g13pt100ab
rep739sys013g13pt100ab
C8H14NP           
        rep739sys013g14pt100ab
rep739sys013g14pt100ab
C3H8NO2P          
        rep739sys013g15pt100ab
rep739sys013g15pt100ab
C5H11OP           
        rep739sys014g01pt100ab
rep739sys014g01pt100ab
C6H9OP            
        rep739sys014g02pt100ab
rep739sys014g02pt100ab
C3H9OP            
        rep739sys014g03pt100ab
rep739sys014g03pt100ab
C3H9OP            
        rep739sys014g04pt100ab
rep739sys014g04pt100ab
C4H7OP            
        rep739sys014g05pt100ab
rep739sys014g05pt100ab
CH7OP             
        rep739sys014g06pt100ab
rep739sys014g06pt100ab
C6H15OP           
        rep739sys014g07pt100ab
rep739sys014g07pt100ab
C7H13OP           
        rep739sys014g08pt100ab
rep739sys014g08pt100ab
C4H13OP           
        rep739sys014g09pt100ab
rep739sys014g09pt100ab
C2H7OP            
        rep739sys014g10pt100ab
rep739sys014g10pt100ab
H5OP              
        rep739sys014g11pt100ab
rep739sys014g11pt100ab
C3H11OP           
        rep739sys014g12pt100ab
rep739sys014g12pt100ab
C4H10P2           
        rep739sys015g01pt100ab
rep739sys015g01pt100ab
C2H8P2            
        rep739sys015g02pt100ab
rep739sys015g02pt100ab
H6P2              
        rep739sys015g03pt100ab
rep739sys015g03pt100ab
C5H14P2           
        rep739sys015g04pt100ab
rep739sys015g04pt100ab
C3H12P2           
        rep739sys015g05pt100ab
rep739sys015g05pt100ab
C6H18P2           
        rep739sys015g06pt100ab
rep739sys015g06pt100ab
H4S               
        rep739sys016g02pt100ab
rep739sys016g02pt100ab
C2H4S             
        rep739sys016g03pt100ab
rep739sys016g03pt100ab
H3FS              
        rep739sys016g04pt100ab
rep739sys016g04pt100ab
CH6S              
        rep739sys016g05pt100ab
rep739sys016g05pt100ab
CH6S              
        rep739sys016g07pt100ab
rep739sys016g07pt100ab
C3H6S             
        rep739sys016g08pt100ab
rep739sys016g08pt100ab
CH5FS             
        rep739sys016g09pt100ab
rep739sys016g09pt100ab
C2H8S             
        rep739sys016g10pt100ab
rep739sys016g10pt100ab
C3H8S             
        rep739sys016g12pt100ab
rep739sys016g12pt100ab
C5H8S             
        rep739sys016g13pt100ab
rep739sys016g13pt100ab
C3H7FS            
        rep739sys016g14pt100ab
rep739sys016g14pt100ab
C4H10S            
        rep739sys016g15pt100ab
rep739sys016g15pt100ab
C4H6S             
        rep739sys016g17pt100ab
rep739sys016g17pt100ab
C6H6S             
        rep739sys016g18pt100ab
rep739sys016g18pt100ab
C4H5FS            
        rep739sys016g19pt100ab
rep739sys016g19pt100ab
C5H8S             
        rep739sys016g20pt100ab
rep739sys016g20pt100ab
C6H8S             
        rep739sys017g01pt100ab
rep739sys017g01pt100ab
C2H6S             
        rep739sys017g02pt100ab
rep739sys017g02pt100ab
C2H4S             
        rep739sys017g03pt100ab
rep739sys017g03pt100ab
CH6S              
        rep739sys017g04pt100ab
rep739sys017g04pt100ab
C7H10S            
        rep739sys017g05pt100ab
rep739sys017g05pt100ab
C3H8S             
        rep739sys017g06pt100ab
rep739sys017g06pt100ab
C3H6S             
        rep739sys017g07pt100ab
rep739sys017g07pt100ab
C2H8S             
        rep739sys017g08pt100ab
rep739sys017g08pt100ab
C9H12S            
        rep739sys017g09pt100ab
rep739sys017g09pt100ab
C5H10S            
        rep739sys017g10pt100ab
rep739sys017g10pt100ab
C5H8S             
        rep739sys017g11pt100ab
rep739sys017g11pt100ab
C4H10S            
        rep739sys017g12pt100ab
rep739sys017g12pt100ab
C10H10S           
        rep739sys017g13pt100ab
rep739sys017g13pt100ab
C6H8S             
        rep739sys017g14pt100ab
rep739sys017g14pt100ab
C6H6S             
        rep739sys017g15pt100ab
rep739sys017g15pt100ab
C5H8S             
        rep739sys017g16pt100ab
rep739sys017g16pt100ab
H5NS              
        rep739sys018g01pt100ab
rep739sys018g01pt100ab
CH3NS             
        rep739sys018g02pt100ab
rep739sys018g02pt100ab
CH7NS             
        rep739sys018g03pt100ab
rep739sys018g03pt100ab
C2H5NS            
        rep739sys018g04pt100ab
rep739sys018g04pt100ab
CH7NS             
        rep739sys018g05pt100ab
rep739sys018g05pt100ab
C2H9NS            
        rep739sys018g06pt100ab
rep739sys018g06pt100ab
CH5NO2S           
        rep739sys018g07pt100ab
rep739sys018g07pt100ab
C2H7NO2S          
        rep739sys018g08pt100ab
rep739sys018g08pt100ab
C5H7NS            
        rep739sys018g09pt100ab
rep739sys018g09pt100ab
C6H9NS            
        rep739sys018g10pt100ab
rep739sys018g10pt100ab
C3H9NS            
        rep739sys018g11pt100ab
rep739sys018g11pt100ab
C4H7NS            
        rep739sys018g12pt100ab
rep739sys018g12pt100ab
C4H11NS           
        rep739sys018g13pt100ab
rep739sys018g13pt100ab
C4H9NO2S          
        rep739sys018g14pt100ab
rep739sys018g14pt100ab
C8H11NS           
        rep739sys018g15pt100ab
rep739sys018g15pt100ab
C4H7NS            
        rep739sys018g16pt100ab
rep739sys018g16pt100ab
C5H5NS            
        rep739sys018g17pt100ab
rep739sys018g17pt100ab
C5H9NS            
        rep739sys018g18pt100ab
rep739sys018g18pt100ab
C5H7NO2S          
        rep739sys018g19pt100ab
rep739sys018g19pt100ab
C9H9NS            
        rep739sys018g20pt100ab
rep739sys018g20pt100ab
C3H8OS            
        rep739sys019g01pt100ab
rep739sys019g01pt100ab
C4H6OS            
        rep739sys019g02pt100ab
rep739sys019g02pt100ab
C4H10OS           
        rep739sys019g03pt100ab
rep739sys019g03pt100ab
C5H8OS            
        rep739sys019g04pt100ab
rep739sys019g04pt100ab
CH6OS             
        rep739sys019g05pt100ab
rep739sys019g05pt100ab
C2H8OS            
        rep739sys019g06pt100ab
rep739sys019g06pt100ab
C6H12OS           
        rep739sys019g07pt100ab
rep739sys019g07pt100ab
C7H10OS           
        rep739sys019g08pt100ab
rep739sys019g08pt100ab
C4H10OS           
        rep739sys019g09pt100ab
rep739sys019g09pt100ab
C7H10OS           
        rep739sys019g10pt100ab
rep739sys019g10pt100ab
C8H8OS            
        rep739sys019g11pt100ab
rep739sys019g11pt100ab
C5H8OS            
        rep739sys019g12pt100ab
rep739sys019g12pt100ab
H4OS              
        rep739sys019g13pt100ab
rep739sys019g13pt100ab
CH6OS             
        rep739sys019g14pt100ab
rep739sys019g14pt100ab
C3H8OS            
        rep739sys019g15pt100ab
rep739sys019g15pt100ab
C4H6OS            
        rep739sys019g16pt100ab
rep739sys019g16pt100ab
C2H7PS            
        rep739sys020g01pt100ab
rep739sys020g01pt100ab
C3H9PS            
        rep739sys020g02pt100ab
rep739sys020g02pt100ab
H5PS              
        rep739sys020g03pt100ab
rep739sys020g03pt100ab
CH7PS             
        rep739sys020g04pt100ab
rep739sys020g04pt100ab
C5H11PS           
        rep739sys020g05pt100ab
rep739sys020g05pt100ab
C3H9PS            
        rep739sys020g06pt100ab
rep739sys020g06pt100ab
C6H9PS            
        rep739sys020g07pt100ab
rep739sys020g07pt100ab
C4H7PS            
        rep739sys020g08pt100ab
rep739sys020g08pt100ab
C3H11PS           
        rep739sys020g09pt100ab
rep739sys020g09pt100ab
C4H13PS           
        rep739sys020g10pt100ab
rep739sys020g10pt100ab
C6H15PS           
        rep739sys020g11pt100ab
rep739sys020g11pt100ab
C7H13PS           
        rep739sys020g12pt100ab
rep739sys020g12pt100ab
H4S2              
        rep739sys021g01pt100ab
rep739sys021g01pt100ab
CH6S2             
        rep739sys021g02pt100ab
rep739sys021g02pt100ab
C2H8S2            
        rep739sys021g03pt100ab
rep739sys021g03pt100ab
C3H8S2            
        rep739sys021g04pt100ab
rep739sys021g04pt100ab
C4H10S2           
        rep739sys021g05pt100ab
rep739sys021g05pt100ab
C6H12S2           
        rep739sys021g06pt100ab
rep739sys021g06pt100ab
C4H6S2            
        rep739sys021g07pt100ab
rep739sys021g07pt100ab
C5H8S2            
        rep739sys021g08pt100ab
rep739sys021g08pt100ab
C7H10S2           
        rep739sys021g09pt100ab
rep739sys021g09pt100ab
C8H8S2            
        rep739sys021g10pt100ab
rep739sys021g10pt100ab
CH2NF             
        rep739sys022g02pt100ab
rep739sys022g02pt100ab
C3H2NF            
        rep739sys022g03pt100ab
rep739sys022g03pt100ab
HCNF2             
        rep739sys022g04pt100ab
rep739sys022g04pt100ab
C2H4NF            
        rep739sys022g05pt100ab
rep739sys022g05pt100ab
CH5F              
        rep739sys022g07pt100ab
rep739sys022g07pt100ab
C3H5F             
        rep739sys022g08pt100ab
rep739sys022g08pt100ab
CH4F2             
        rep739sys022g09pt100ab
rep739sys022g09pt100ab
C2H7F             
        rep739sys022g10pt100ab
rep739sys022g10pt100ab
C7H6NF            
        rep739sys023g01pt100ab
rep739sys023g01pt100ab
C3H4NF            
        rep739sys023g02pt100ab
rep739sys023g02pt100ab
C3H2NF            
        rep739sys023g03pt100ab
rep739sys023g03pt100ab
C2H4NF            
        rep739sys023g04pt100ab
rep739sys023g04pt100ab
C7H9F             
        rep739sys023g05pt100ab
rep739sys023g05pt100ab
C3H7F             
        rep739sys023g06pt100ab
rep739sys023g06pt100ab
C3H5F             
        rep739sys023g07pt100ab
rep739sys023g07pt100ab
C2H7F             
        rep739sys023g08pt100ab
rep739sys023g08pt100ab
CH3N2F            
        rep739sys024g01pt100ab
rep739sys024g01pt100ab
HC2N2F            
        rep739sys024g02pt100ab
rep739sys024g02pt100ab
C2H5N2F           
        rep739sys024g03pt100ab
rep739sys024g03pt100ab
CH6NF             
        rep739sys024g04pt100ab
rep739sys024g04pt100ab
C2H4NF            
        rep739sys024g05pt100ab
rep739sys024g05pt100ab
C2H8NF            
        rep739sys024g06pt100ab
rep739sys024g06pt100ab
C2H3N2O2F         
        rep739sys024g07pt100ab
rep739sys024g07pt100ab
C6H5N2F           
        rep739sys024g08pt100ab
rep739sys024g08pt100ab
C6H8NF            
        rep739sys024g09pt100ab
rep739sys024g09pt100ab
C4H6NOF           
        rep739sys025g01pt100ab
rep739sys025g01pt100ab
C5H4NOF           
        rep739sys025g02pt100ab
rep739sys025g02pt100ab
C2H4NOF           
        rep739sys025g03pt100ab
rep739sys025g03pt100ab
C4H9OF            
        rep739sys025g04pt100ab
rep739sys025g04pt100ab
C5H7OF            
        rep739sys025g05pt100ab
rep739sys025g05pt100ab
C2H7OF            
        rep739sys025g06pt100ab
rep739sys025g06pt100ab
CH2NOF            
        rep739sys025g07pt100ab
rep739sys025g07pt100ab
CH5OF             
        rep739sys025g08pt100ab
rep739sys025g08pt100ab
C3H5NFP           
        rep739sys026g01pt100ab
rep739sys026g01pt100ab
C3H8FP            
        rep739sys026g02pt100ab
rep739sys026g02pt100ab
CH3NFP            
        rep739sys026g03pt100ab
rep739sys026g03pt100ab
CH6FP             
        rep739sys026g04pt100ab
rep739sys026g04pt100ab
C4H9NFP           
        rep739sys026g05pt100ab
rep739sys026g05pt100ab
C4H12FP           
        rep739sys026g06pt100ab
rep739sys026g06pt100ab
CH2NFS            
        rep739sys027g01pt100ab
rep739sys027g01pt100ab
C2H4NFS           
        rep739sys027g02pt100ab
rep739sys027g02pt100ab
CH5FS             
        rep739sys027g03pt100ab
rep739sys027g03pt100ab
C2H7FS            
        rep739sys027g04pt100ab
rep739sys027g04pt100ab
C4H6NFS           
        rep739sys027g05pt100ab
rep739sys027g05pt100ab
C4H9FS            
        rep739sys027g06pt100ab
rep739sys027g06pt100ab
C5H4NFS           
        rep739sys027g07pt100ab
rep739sys027g07pt100ab
C5H7FS            
        rep739sys027g08pt100ab
rep739sys027g08pt100ab
C2N2F2            
        rep739sys028g01pt100ab
rep739sys028g01pt100ab
C2H3NF2           
        rep739sys028g02pt100ab
rep739sys028g02pt100ab
C2H6F2            
        rep739sys028g03pt100ab
rep739sys028g03pt100ab
CH2NCl            
        rep739sys029g02pt100ab
rep739sys029g02pt100ab
C3H2NCl           
        rep739sys029g03pt100ab
rep739sys029g03pt100ab
HCNFCl            
        rep739sys029g04pt100ab
rep739sys029g04pt100ab
C2H4NCl           
        rep739sys029g05pt100ab
rep739sys029g05pt100ab
CH5Cl             
        rep739sys029g07pt100ab
rep739sys029g07pt100ab
C3H5Cl            
        rep739sys029g08pt100ab
rep739sys029g08pt100ab
CH4FCl            
        rep739sys029g09pt100ab
rep739sys029g09pt100ab
C2H7Cl            
        rep739sys029g10pt100ab
rep739sys029g10pt100ab
C7H6NCl           
        rep739sys030g01pt100ab
rep739sys030g01pt100ab
C3H4NCl           
        rep739sys030g02pt100ab
rep739sys030g02pt100ab
C3H2NCl           
        rep739sys030g03pt100ab
rep739sys030g03pt100ab
C2H4NCl           
        rep739sys030g04pt100ab
rep739sys030g04pt100ab
C7H9Cl            
        rep739sys030g05pt100ab
rep739sys030g05pt100ab
C3H7Cl            
        rep739sys030g06pt100ab
rep739sys030g06pt100ab
C3H5Cl            
        rep739sys030g07pt100ab
rep739sys030g07pt100ab
C2H7Cl            
        rep739sys030g08pt100ab
rep739sys030g08pt100ab
CH3N2Cl           
        rep739sys031g01pt100ab
rep739sys031g01pt100ab
HC2N2Cl           
        rep739sys031g02pt100ab
rep739sys031g02pt100ab
C2H5N2Cl          
        rep739sys031g03pt100ab
rep739sys031g03pt100ab
CH6NCl            
        rep739sys031g04pt100ab
rep739sys031g04pt100ab
C2H4NCl           
        rep739sys031g05pt100ab
rep739sys031g05pt100ab
C2H8NCl           
        rep739sys031g06pt100ab
rep739sys031g06pt100ab
C2H3N2O2Cl        
        rep739sys031g07pt100ab
rep739sys031g07pt100ab
C2H6NO2Cl         
        rep739sys031g08pt100ab
rep739sys031g08pt100ab
C6H5N2Cl          
        rep739sys031g09pt100ab
rep739sys031g09pt100ab
C6H8NCl           
        rep739sys031g10pt100ab
rep739sys031g10pt100ab
C4H6NOCl          
        rep739sys032g01pt100ab
rep739sys032g01pt100ab
C5H4NOCl          
        rep739sys032g02pt100ab
rep739sys032g02pt100ab
C2H4NOCl          
        rep739sys032g03pt100ab
rep739sys032g03pt100ab
C4H9OCl           
        rep739sys032g04pt100ab
rep739sys032g04pt100ab
C5H7OCl           
        rep739sys032g05pt100ab
rep739sys032g05pt100ab
C2H7OCl           
        rep739sys032g06pt100ab
rep739sys032g06pt100ab
CH2NOCl           
        rep739sys032g07pt100ab
rep739sys032g07pt100ab
CH5OCl            
        rep739sys032g08pt100ab
rep739sys032g08pt100ab
C3H5NPCl          
        rep739sys033g01pt100ab
rep739sys033g01pt100ab
C3H8PCl           
        rep739sys033g02pt100ab
rep739sys033g02pt100ab
CH3NPCl           
        rep739sys033g03pt100ab
rep739sys033g03pt100ab
CH6PCl            
        rep739sys033g04pt100ab
rep739sys033g04pt100ab
C4H9NPCl          
        rep739sys033g05pt100ab
rep739sys033g05pt100ab
C4H12PCl          
        rep739sys033g06pt100ab
rep739sys033g06pt100ab
CH2NSCl           
        rep739sys034g01pt100ab
rep739sys034g01pt100ab
C2H4NSCl          
        rep739sys034g02pt100ab
rep739sys034g02pt100ab
CH5SCl            
        rep739sys034g03pt100ab
rep739sys034g03pt100ab
C2H7SCl           
        rep739sys034g04pt100ab
rep739sys034g04pt100ab
C4H6NSCl          
        rep739sys034g05pt100ab
rep739sys034g05pt100ab
C4H9SCl           
        rep739sys034g06pt100ab
rep739sys034g06pt100ab
C5H4NSCl          
        rep739sys034g07pt100ab
rep739sys034g07pt100ab
C5H7SCl           
        rep739sys034g08pt100ab
rep739sys034g08pt100ab
C2N2FCl           
        rep739sys035g01pt100ab
rep739sys035g01pt100ab
C2H3NFCl          
        rep739sys035g02pt100ab
rep739sys035g02pt100ab
C2H3NFCl          
        rep739sys035g03pt100ab
rep739sys035g03pt100ab
C2H6FCl           
        rep739sys035g04pt100ab
rep739sys035g04pt100ab
C2N2Cl2           
        rep739sys036g01pt100ab
rep739sys036g01pt100ab
C2H3NCl2          
        rep739sys036g02pt100ab
rep739sys036g02pt100ab
C2H6Cl2           
        rep739sys036g03pt100ab
rep739sys036g03pt100ab
CH2NBr            
        rep739sys037g02pt100ab
rep739sys037g02pt100ab
C3H2NBr           
        rep739sys037g03pt100ab
rep739sys037g03pt100ab
HCNFBr            
        rep739sys037g04pt100ab
rep739sys037g04pt100ab
C2H4NBr           
        rep739sys037g05pt100ab
rep739sys037g05pt100ab
CH5Br             
        rep739sys037g07pt100ab
rep739sys037g07pt100ab
C3H5Br            
        rep739sys037g08pt100ab
rep739sys037g08pt100ab
CH4FBr            
        rep739sys037g09pt100ab
rep739sys037g09pt100ab
C2H7Br            
        rep739sys037g10pt100ab
rep739sys037g10pt100ab
C7H6NBr           
        rep739sys038g01pt100ab
rep739sys038g01pt100ab
C3H4NBr           
        rep739sys038g02pt100ab
rep739sys038g02pt100ab
C3H2NBr           
        rep739sys038g03pt100ab
rep739sys038g03pt100ab
C2H4NBr           
        rep739sys038g04pt100ab
rep739sys038g04pt100ab
C7H9Br            
        rep739sys038g05pt100ab
rep739sys038g05pt100ab
C3H7Br            
        rep739sys038g06pt100ab
rep739sys038g06pt100ab
C3H5Br            
        rep739sys038g07pt100ab
rep739sys038g07pt100ab
C2H7Br            
        rep739sys038g08pt100ab
rep739sys038g08pt100ab
CH3N2Br           
        rep739sys039g01pt100ab
rep739sys039g01pt100ab
HC2N2Br           
        rep739sys039g02pt100ab
rep739sys039g02pt100ab
C2H5N2Br          
        rep739sys039g03pt100ab
rep739sys039g03pt100ab
CH6NBr            
        rep739sys039g04pt100ab
rep739sys039g04pt100ab
C2H4NBr           
        rep739sys039g05pt100ab
rep739sys039g05pt100ab
C2H8NBr           
        rep739sys039g06pt100ab
rep739sys039g06pt100ab
C2H3N2O2Br        
        rep739sys039g07pt100ab
rep739sys039g07pt100ab
C2H6NO2Br         
        rep739sys039g08pt100ab
rep739sys039g08pt100ab
C6H5N2Br          
        rep739sys039g09pt100ab
rep739sys039g09pt100ab
C6H8NBr           
        rep739sys039g10pt100ab
rep739sys039g10pt100ab
C4H6NOBr          
        rep739sys040g01pt100ab
rep739sys040g01pt100ab
C5H4NOBr          
        rep739sys040g02pt100ab
rep739sys040g02pt100ab
C2H4NOBr          
        rep739sys040g03pt100ab
rep739sys040g03pt100ab
C4H9OBr           
        rep739sys040g04pt100ab
rep739sys040g04pt100ab
C5H7OBr           
        rep739sys040g05pt100ab
rep739sys040g05pt100ab
C2H7OBr           
        rep739sys040g06pt100ab
rep739sys040g06pt100ab
CH2NOBr           
        rep739sys040g07pt100ab
rep739sys040g07pt100ab
CH5OBr            
        rep739sys040g08pt100ab
rep739sys040g08pt100ab
C3H5NPBr          
        rep739sys041g01pt100ab
rep739sys041g01pt100ab
C3H8PBr           
        rep739sys041g02pt100ab
rep739sys041g02pt100ab
CH3NPBr           
        rep739sys041g03pt100ab
rep739sys041g03pt100ab
CH6PBr            
        rep739sys041g04pt100ab
rep739sys041g04pt100ab
C4H9NPBr          
        rep739sys041g05pt100ab
rep739sys041g05pt100ab
C4H12PBr          
        rep739sys041g06pt100ab
rep739sys041g06pt100ab
CH2NSBr           
        rep739sys042g01pt100ab
rep739sys042g01pt100ab
C2H4NSBr          
        rep739sys042g02pt100ab
rep739sys042g02pt100ab
CH5SBr            
        rep739sys042g03pt100ab
rep739sys042g03pt100ab
C2H7SBr           
        rep739sys042g04pt100ab
rep739sys042g04pt100ab
C4H6NSBr          
        rep739sys042g05pt100ab
rep739sys042g05pt100ab
C4H9SBr           
        rep739sys042g06pt100ab
rep739sys042g06pt100ab
C5H4NSBr          
        rep739sys042g07pt100ab
rep739sys042g07pt100ab
C5H7SBr           
        rep739sys042g08pt100ab
rep739sys042g08pt100ab
C2N2FBr           
        rep739sys043g01pt100ab
rep739sys043g01pt100ab
C2H3NFBr          
        rep739sys043g02pt100ab
rep739sys043g02pt100ab
C2H3NFBr          
        rep739sys043g03pt100ab
rep739sys043g03pt100ab
C2H6FBr           
        rep739sys043g04pt100ab
rep739sys043g04pt100ab
C2N2ClBr          
        rep739sys044g01pt100ab
rep739sys044g01pt100ab
C2H3NClBr         
        rep739sys044g02pt100ab
rep739sys044g02pt100ab
C2H3NClBr         
        rep739sys044g03pt100ab
rep739sys044g03pt100ab
C2H6ClBr          
        rep739sys044g04pt100ab
rep739sys044g04pt100ab
C2N2Br2           
        rep739sys045g01pt100ab
rep739sys045g01pt100ab
C2H3NBr2          
        rep739sys045g02pt100ab
rep739sys045g02pt100ab
C2H6Br2           
        rep739sys045g03pt100ab
rep739sys045g03pt100ab
CH2NI             
        rep739sys046g02pt100ab
rep739sys046g02pt100ab
C3H2NI            
        rep739sys046g03pt100ab
rep739sys046g03pt100ab
HCNFI             
        rep739sys046g04pt100ab
rep739sys046g04pt100ab
C2H4NI            
        rep739sys046g05pt100ab
rep739sys046g05pt100ab
CH5I              
        rep739sys046g07pt100ab
rep739sys046g07pt100ab
C3H5I             
        rep739sys046g08pt100ab
rep739sys046g08pt100ab
CH4FI             
        rep739sys046g09pt100ab
rep739sys046g09pt100ab
C2H7I             
        rep739sys046g10pt100ab
rep739sys046g10pt100ab
C7H6NI            
        rep739sys047g01pt100ab
rep739sys047g01pt100ab
C3H4NI            
        rep739sys047g02pt100ab
rep739sys047g02pt100ab
C3H2NI            
        rep739sys047g03pt100ab
rep739sys047g03pt100ab
C2H4NI            
        rep739sys047g04pt100ab
rep739sys047g04pt100ab
C7H9I             
        rep739sys047g05pt100ab
rep739sys047g05pt100ab
C3H7I             
        rep739sys047g06pt100ab
rep739sys047g06pt100ab
C3H5I             
        rep739sys047g07pt100ab
rep739sys047g07pt100ab
C2H7I             
        rep739sys047g08pt100ab
rep739sys047g08pt100ab
CH3N2I            
        rep739sys048g01pt100ab
rep739sys048g01pt100ab
HC2N2I            
        rep739sys048g02pt100ab
rep739sys048g02pt100ab
C2H5N2I           
        rep739sys048g03pt100ab
rep739sys048g03pt100ab
CH6NI             
        rep739sys048g04pt100ab
rep739sys048g04pt100ab
C2H4NI            
        rep739sys048g05pt100ab
rep739sys048g05pt100ab
C2H8NI            
        rep739sys048g06pt100ab
rep739sys048g06pt100ab
C2H3N2O2I         
        rep739sys048g07pt100ab
rep739sys048g07pt100ab
C2H6NO2I          
        rep739sys048g08pt100ab
rep739sys048g08pt100ab
C6H5N2I           
        rep739sys048g09pt100ab
rep739sys048g09pt100ab
C6H8NI            
        rep739sys048g10pt100ab
rep739sys048g10pt100ab
C4H6NOI           
        rep739sys049g01pt100ab
rep739sys049g01pt100ab
C5H4NOI           
        rep739sys049g02pt100ab
rep739sys049g02pt100ab
C2H4NOI           
        rep739sys049g03pt100ab
rep739sys049g03pt100ab
C4H9OI            
        rep739sys049g04pt100ab
rep739sys049g04pt100ab
C5H7OI            
        rep739sys049g05pt100ab
rep739sys049g05pt100ab
C2H7OI            
        rep739sys049g06pt100ab
rep739sys049g06pt100ab
CH2NOI            
        rep739sys049g07pt100ab
rep739sys049g07pt100ab
CH5OI             
        rep739sys049g08pt100ab
rep739sys049g08pt100ab
C3H5NPI           
        rep739sys050g01pt100ab
rep739sys050g01pt100ab
C3H8PI            
        rep739sys050g02pt100ab
rep739sys050g02pt100ab
CH3NPI            
        rep739sys050g03pt100ab
rep739sys050g03pt100ab
CH6PI             
        rep739sys050g04pt100ab
rep739sys050g04pt100ab
C4H9NPI           
        rep739sys050g05pt100ab
rep739sys050g05pt100ab
C4H12PI           
        rep739sys050g06pt100ab
rep739sys050g06pt100ab
CH2NSI            
        rep739sys051g01pt100ab
rep739sys051g01pt100ab
C2H4NSI           
        rep739sys051g02pt100ab
rep739sys051g02pt100ab
CH5SI             
        rep739sys051g03pt100ab
rep739sys051g03pt100ab
C2H7SI            
        rep739sys051g04pt100ab
rep739sys051g04pt100ab
C4H6NSI           
        rep739sys051g05pt100ab
rep739sys051g05pt100ab
C4H9SI            
        rep739sys051g06pt100ab
rep739sys051g06pt100ab
C5H4NSI           
        rep739sys051g07pt100ab
rep739sys051g07pt100ab
C5H7SI            
        rep739sys051g08pt100ab
rep739sys051g08pt100ab
C2N2FI            
        rep739sys052g01pt100ab
rep739sys052g01pt100ab
C2H3NFI           
        rep739sys052g02pt100ab
rep739sys052g02pt100ab
C2H3NFI           
        rep739sys052g03pt100ab
rep739sys052g03pt100ab
C2H6FI            
        rep739sys052g04pt100ab
rep739sys052g04pt100ab
C2N2ClI           
        rep739sys053g01pt100ab
rep739sys053g01pt100ab
C2H3NClI          
        rep739sys053g02pt100ab
rep739sys053g02pt100ab
C2H3NClI          
        rep739sys053g03pt100ab
rep739sys053g03pt100ab
C2H6ClI           
        rep739sys053g04pt100ab
rep739sys053g04pt100ab
C2N2BrI           
        rep739sys054g01pt100ab
rep739sys054g01pt100ab
C2H3NBrI          
        rep739sys054g02pt100ab
rep739sys054g02pt100ab
C2H3NBrI          
        rep739sys054g03pt100ab
rep739sys054g03pt100ab
C2H6BrI           
        rep739sys054g04pt100ab
rep739sys054g04pt100ab
C2N2I2            
        rep739sys055g01pt100ab
rep739sys055g01pt100ab
C2H3NI2           
        rep739sys055g02pt100ab
rep739sys055g02pt100ab
