Accuracy

rep739sys001g03pt100ab    160 rep739sys001g03pt100ab

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    #  Species Formula
   150 31 Trifluoromethanol - waterCH3O2F3
   151 32 Trichloromethanol - waterCH3O2Cl3
   152 33 HF - methanolCH5OF
   153 34 HCl - methanolCH5OCl
   154 35 HBr - methanolCH5OBr
   155 36 HI - methanolCH5OI
   156 37 HF - methylamineCH6NF
   157 38 HCl - methylamineCH6NCl
   158 39 methanol - fluoromethaneC2H7OF
   159 40 methanol - chloromethaneC2H7OCl
   160 rep739sys001g03pt100ab H4
   161 rep739sys001g05pt100abC2H4
   162 rep739sys001g06pt100abC4H4
   163 rep739sys001g08pt100abH3F
   164 rep739sys001g09pt100abC2H3F
   165 rep739sys001g10pt100abH2F2
   166 rep739sys001g12pt100abCH6
   167 rep739sys001g13pt100abC3H6
   168 rep739sys001g14pt100abCH5F
   169 rep739sys001g15pt100abC2H8
   170 rep739sys002g02pt100abC6H8 


  
    CHARGE=0
rep739sys001g03pt100ab
H=2.825+rep739sys001g03pt100a+rep739sys001g03pt100b HR=NCIA HWT=10
  H     0.34197624 +0  -0.55665534 +0   0.46172187 +0
  H     0.65897624 +1  -1.07265534 +0   0.88972187 +0
  H    -0.35606567 +0   0.57958954 +1  -0.48074481 +0
  H    -0.67306567 +0   1.09558954 +0  -0.90874481 +0