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

CEB r   1024 CEB (Torsion angle) (Geo)

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    #  Species Formula
  1014 Nitrous oxide (Geo)N2O
  1015 Nitrous oxideN2O
  1016 UreaCH4N2O
  1017 N-Methyl ureaC2H6N2O
  1018 Dimethyl furazanC4H6N2O
  1019 IsopropylureaC4H10N2O
  1020 5-Amino-3,4-dimethylisoxazoleC5H8N2O
  1021 (1-Methylpropyl) ureaC5H12N2O
  1022 N,N-diethylureaC5H12N2O
  1023 TetramethylureaC5H12N2O
  1024 CEB (Torsion angle) (Geo) C13H12N2O
  1025 1D88_B3P (Torsion angle) (Geo)C14H14N2O
  1026 4-Amino-2(1H)-pyrimidinoneC4H5N3O
  1027 2ME_B3P (Torsion angle) (Geo)C22H26N4O
  1028 Oxygen, triplet state (Geo)O2
  1029 Oxygen (Singlet)O2
  1030 Oxygen (Triplet)O2
  1031 Hydrogen peroxide (Geo)H2O2
  1032 Hydrogen peroxideH2O2
  1033 LiOH.H2OH3LiO2
  1034 LiOH.H2O (Geo)H3LiO2


REF: 6-31G(d) basis set using the B3LYP Density Functional
  
 PM7
CEB (Torsion angle)
 <> <><> <><><C-C-C-C> GR=B3LYP GWT=20
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.40537891 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     2.37394527 +1  136.4791318 +1    0.0000000 +0     2     1     0
  C     1.46018251 +1  149.8556101 +1   54.5098800 +1     3     2     1
  C     1.40576050 +1  118.4572379 +1  178.8113845 +1     4     3     2
  C     1.38446317 +1  121.1132713 +1 -179.9328523 +1     5     4     3
  N     1.29330546 +1   29.8554773 +1   -2.8098685 +1     3     2     4
  C     1.38443566 +1  120.1599773 +1  159.3863223 +1     1     2     3
  C     1.41012994 +1  119.7749124 +1    0.3652656 +1     8     1     2
  C     1.40806154 +1  120.0975695 +1    0.1717151 +1     9     8     1
  C     1.38678512 +1  119.6987948 +1   -0.5543724 +1    10     9     8
  N     1.39045257 +1  119.8720831 +1 -177.2157104 +1     9     8    10
  O     2.42625412 +1   96.5920961 +1  179.8850297 +1     4     3     5
  H     1.01663763 +1   83.9495080 +1    0.4821067 +1    13     4     3
  H     2.15914601 +1  146.2014214 +1   -0.1206930 +1     6     5     4
  H     2.50493615 +1   93.8792633 +1    0.0712183 +1    15     6     5
  H     1.09092229 +1  119.2615004 +1 -179.9665199 +1     5     4     6
  H     1.08611314 +1  120.3278209 +1 -179.8992246 +1     6     5    15
  H     1.10250455 +1   94.4184287 +1 -178.6231774 +1     3     2     7
  H     1.09139776 +1  119.3508124 +1 -179.9620147 +1     1     2     8
  H     1.08589154 +1  120.1600582 +1 -179.7046505 +1     8     1     9
  H     1.08549814 +1  120.1521808 +1 -179.7753250 +1    10     9    11
  H     1.08929066 +1  119.7883542 +1  179.3734802 +1    11    10     9
  H     0.99697473 +1  119.1594790 +1  -15.6477276 +1    12     9     8
  H     0.99686968 +1  119.1843895 +1 -151.5047630 +1    12     9    24
  C     1.09026344 +1   34.4845247 +1    0.0081061 +1    15     6    16
  C     1.08725699 +1   58.4473941 +1   -0.0147088 +1    16    15     6
  C     1.33823376 +1   28.6467951 +1  179.4066967 +1    13     4    14