PM7 Accuracy Date:Mon Feb 11 04:20:05 2019

aa_03_val-val r   1359 Val-val (Geo)

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    #  Species Formula
  1349 Dinitrogen trioxideN2O3
  1350 Dinitrogen trioxide (Geo)N2O3
  1351 Barbituric acidC4H4N2O3
  1352 AsparagineC4H8N2O3
  1353 GLY-GLYC4H8N2O3
  1354 GlutamineC5H10N2O3
  1355 ALA-ALAC6H12N2O3
  1356 8-Hydroxy-5-nitroquinolineC9H6N2O3
  1357 Pro-pro (Geo)C10H16N2O3
  1358 PRO-PROC10H16N2O3
  1359 Val-val (Geo) C10H20N2O3
  1360 VAL-VALC10H20N2O3
  1361 Ile-ile (Geo)C12H24N2O3
  1362 ILE-ILEC12H24N2O3
  1363 LEU-LEUC12H24N2O3
  1364 Naphthoquinone dye (Torsion angle) (Geo)C21H20N2O3
  1365 1,3,5-Triazine-2,4,6(1H,3H,5H)-trioneC3H3N3O3
  1366 1,3,5-Trimethyl-s-triazine-2,4,6-trioneC6H9N3O3
  1367 2,4,6-Trimethoxy-s-triazineC6H9N3O3
  1368 Li(+)(H2O)4H8LiO4
  1369 Li(+)(H2O)4 (Geo)H8LiO4


REF: Estimated from DGauss results of DFT calculations, using the B88-PW91 functional and the DZVP basis set, in CAChe 6.0, Fujitsu Ltd, 2003.
  
 PM7
Val-val
 <> <><> <><><Phi> <><><> <><><Psi> GR=PW91D
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.52330669 +1    0.0000000 +0    0.0000000 +0     1     0     0
  N     1.46162091 +1  106.7067762 +1    0.0000000 +0     2     1     0
  C     1.38177340 +1  120.3533956 +1 -126.5383150 +1     3     2     1
  C     1.54030511 +1  116.4393988 +1  179.8912743 +1     4     3     2
  N     1.47067100 +1  109.5236747 +1  122.9835380 +1     5     4     3
  H     1.01090002 +1  111.8321405 +1   64.3161865 +1     6     5     4
  H     1.12017398 +1  111.4716707 +1 -119.0651003 +1     5     4     6
  H     2.18200297 +1   94.3576125 +1 -146.4392873 +1     5     4     8
  H     2.55442624 +1   94.5907705 +1   91.8071794 +1     9     5     4
  H     1.76324373 +1   89.8499028 +1   -2.7512970 +1    10     9     5
  H     1.76051366 +1   67.3049753 +1  -57.7196803 +1    10     9    11
  H     2.48623120 +1   96.3225641 +1   61.6726539 +1     9     5    10
  H     1.77131207 +1   71.4973042 +1   48.4228633 +1    13     9     5
  H     1.76850036 +1   91.9608457 +1  -57.1731561 +1    13     9    14
  C     1.11876475 +1   42.4162248 +1  -33.0274654 +1     9     5    13
  O     1.20293914 +1  127.4002287 +1  -35.5959966 +1     1     2     3
  C     1.09966900 +1   36.0736454 +1  -65.5407245 +1    14    13     9
  C     1.55628930 +1  108.8944440 +1  120.0817411 +1     2     1     3
  C     1.52994805 +1  109.3906354 +1  176.6233891 +1    19     2     1
  C     1.52938637 +1  109.7464018 +1 -120.9632994 +1    19     2    20
  C     1.09695926 +1   36.6511033 +1   65.4823128 +1    12    10     9
  H     1.01119606 +1  116.4872100 +1  171.2931963 +1     3     2     4
  H     1.13023156 +1  110.4648503 +1  120.2474196 +1     2     1    19
  H     1.11706041 +1  108.9352555 +1 -119.7913940 +1    19     2    21
  H     1.09652600 +1  111.0992933 +1  173.0836255 +1    21    19     2
  H     1.09766822 +1  111.7099210 +1 -119.6497513 +1    21    19    26
  H     1.09614495 +1  112.1768243 +1 -120.4830579 +1    21    19    27
  H     1.09551636 +1  111.2846069 +1  179.8247342 +1    20    19     2
  H     1.09594126 +1  111.5955728 +1 -120.1719371 +1    20    19    29
  H     1.09764401 +1  111.6554613 +1 -119.7568962 +1    20    19    30
  H     1.00762308 +1  112.1554230 +1 -122.6310817 +1     6     5     7
  O     1.35197346 +1  110.8613873 +1  179.5131965 +1     1     2    17
  H     0.99074715 +1  113.7758791 +1 -179.1758589 +1    33     1     2
  O     1.21288750 +1  121.2022805 +1  176.1257797 +1     4     3     5