PM7 Accuracy

perfluoro-2,7-dimethyloctane   1662 Perfluoro-2,7-dimethyloctane

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    #  Species Formula
  1652 Tetrakis(difluoroamine)-N-1,1-trifluorodimethylamineC2N5F11
  1653 DodecafluorocyclohexaneC6F12
  1654 Bis-(n-perfluoropropyl ether)C6OF14
  1655 PerfluorotriethylamineC6NF15
  1656 PerfluoroheptaneC7F16
  1657 cis-Perfluorobicyclo[4,3,0]nonaneC9F16
  1658 trans-Perfluorobicyclo[4,3,0]nonaneC9F16
  1659 Perfluoro 3-ethyl 2,4 dimethyl pent-2-enC9F18
  1660 Perfluoro cis decalinC10F18
  1661 Perfluoro-di(n-butyl) etherC8OF18
  1662 Perfluoro-2,7-dimethyloctane C10F22
  1663 PerfluorotributylamineC12NF27
  1664 Neon, atomNe
  1665 Neon fluoride anion (Geo)FNe
  1666 Sodium, cationNa
  1667 Sodium, 2P(u) - 3s(0)3p(1)Na
  1668 Sodium, atomNa
  1669 Sodium, anionNa
  1670 Sodium hydride (Geo)HNa
  1671 Sodium hydrideHNa
  1672 Helium Sodium cation (Geo)HeNa


DHf:-1108.8 kcal/mol,     REF: NIST Chemistry WebBook, NIST Standard Reference Database, No. 69; W. G. Mallard, P. J. Linstrom, Eds., National Institute of Standards and Technology, Gaithersberg, http://webbook.nist.gov/chemistry.
  
 PM7
Perfluoro-2,7-dimethyloctane
 H=-1108.8 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.56106532  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.55968263  1  112.8825786  1    0.0000000  0     2     1     0
  C     1.57192074  1  117.5140553  1  -80.0281952  1     3     2     1
  C     1.56836174  1  113.5818100  1  159.2871665  1     4     3     2
  C     1.57194994  1  113.8930246  1  -91.9219951  1     5     4     3
  C     1.55864055  1  114.4400617  1  178.9059596  1     6     5     4
  C     1.56236133  1  111.3419658  1 -141.2363800  1     7     6     5
  C     1.56227324  1  111.4806098  1   95.1836687  1     7     6     5
  C     1.55952784  1  111.2348036  1 -127.9299262  1     2     1     3
  F     1.32634371  1  111.8859165  1  179.2683656  1     1     2     3
  F     1.32535987  1  113.4698428  1   59.1606837  1     1     2     3
  F     1.32561887  1  112.2235417  1  -61.3797450  1     1     2     3
  F     1.34609153  1  106.3269770  1  -64.3046339  1     2     1    11
  F     1.33560401  1  108.5694131  1  157.2751035  1     3     2     1
  F     1.33488168  1  108.8504421  1   44.9125385  1     3     2     1
  F     1.33145252  1  110.8707334  1   35.1574002  1     4     3     2
  F     1.33345184  1  108.7617491  1  -78.5827936  1     4     3     2
  F     1.33248979  1  109.5420665  1  145.3690509  1     5     4     3
  F     1.33303288  1  109.4743556  1   31.5467019  1     5     4     3
  F     1.33433006  1  108.6701925  1   54.9316915  1     6     5     4
  F     1.33405405  1  109.3874921  1  -57.6312829  1     6     5     4
  F     1.34192805  1  109.1085171  1  -23.1703903  1     7     6     5
  F     1.32604765  1  112.3007999  1 -173.7299070  1     8     7     6
  F     1.32539296  1  112.2117123  1   66.6152360  1     8     7     6
  F     1.32590003  1  112.4667813  1  -53.7246840  1     8     7     6
  F     1.32600530  1  112.4733741  1   72.9708431  1     9     7     6
  F     1.32582953  1  112.5747302  1  -47.2495704  1     9     7     6
  F     1.32545702  1  112.0842056  1 -167.0085574  1     9     7     6
  F     1.32614332  1  112.3031401  1  174.4737927  1    10     2     1
  F     1.32625359  1  112.9023251  1   54.1295293  1    10     2     1
  F     1.32545385  1  112.1032986  1  -65.9228376  1    10     2     1