PM7 Accuracy

1,1,2-Trifluoro-2-chloroethyl perfluoroheptylether   2435 1,1,2-Trifluoro-2-chloroethyl perfluoroheptylether

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    #  Species Formula
  2425 NClF2NF2Cl
  2426 Chlorine trifluorideF3Cl
  2427 Chlorine trifluoride (Geo)F3Cl
  2428 TrifluorochloromethaneCF3Cl
  2429 ChlorotrifluoroetheneC2F3Cl
  2430 Chlorine pentafluorideF5Cl
  2431 Chlorine pentafluoride (Geo)F5Cl
  2432 ChloropentafluoroethaneC2F5Cl
  2433 ChloropentafluorobenzeneC6F5Cl
  2434 1,1,2-Trifluoro-2-chloroethyl dodecafluoroheptyletherC9H4OF15Cl
  2435 1,1,2-Trifluoro-2-chloroethyl perfluoroheptylether C9H4OF15Cl
  2436 Neon chloride anion (Geo)NeCl
  2437 Sodium chloride, cationNaCl
  2438 Sodium chloride (Geo)NaCl
  2439 Sodium chlorideNaCl
  2440 Disodium chloride, cationNa2Cl
  2441 Magnesium chlorideMgCl
  2442 Magnesium chloride (Geo)MgCl
  2443 Magnesium hydride chlorideHMgCl
  2444 Magnesium chloride fluorideFMgCl
  2445 Magnesium chloride fluoride (Geo)FMgCl


DHf: -810.7 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
1,1,2-Trifluoro-2-chloroethyl perfluoroheptylether
 H=-810.7 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.55258628  1    0.0000000  0    0.0000000  0     1     0     0
  O     1.37883442  1  105.4339931  1    0.0000000  0     2     1     0
  C     1.42124379  1  118.5675104  1  178.6403322  1     3     2     1
  C     1.54331178  1  100.8017358  1 -159.1004394  1     4     3     2
  C     1.56948412  1  114.0676008  1  175.3007931  1     5     4     3
  C     1.56504009  1  114.1923139  1  167.6755945  1     6     5     4
  C     1.56631686  1  113.7826890  1  165.7721377  1     7     6     5
 Cl     1.76204677  1  107.8619424  1  -73.1573113  1     1     2     3
  F     1.33976203  1  108.4871008  1 -115.5266061  1     1     2     9
  F     1.33238487  1  113.0658984  1  122.5851913  1     2     1     3
  F     1.33497177  1  112.4739454  1  116.9335384  1     2     1    11
  F     1.33587211  1  110.5554001  1  123.2529266  1     5     4     6
  F     1.33573603  1  110.5404558  1  114.1085207  1     5     4    13
  F     1.33434625  1  109.4426244  1  123.3390349  1     6     5     7
  F     1.33483757  1  110.0444032  1  113.7906385  1     6     5    15
  F     1.33320816  1  109.2029551  1  123.0717245  1     7     6     8
  F     1.33325789  1  109.9472881  1  114.1317944  1     7     6    17
  F     1.33518064  1  109.0105402  1  -71.2249146  1     8     7     6
  F     1.33291212  1  109.7044526  1  113.6776123  1     8     7    19
  C     1.56590470  1  114.0971188  1  123.3831074  1     8     7    20
  F     1.33555869  1  109.2531758  1   46.5548166  1    21     8     7
  F     1.33322356  1  109.0672453  1 -113.2314161  1    21     8    22
  C     1.56647899  1  113.6496947  1 -124.0620835  1    21     8    23
  F     1.33925761  1  108.4644538  1  164.4459023  1    24    21     8
  F     1.33964404  1  108.4373507  1 -111.4783504  1    24    21    25
  H     1.12195954  1  112.6188582  1 -124.1432740  1     1     2    10
  H     1.10914302  1  108.4647539  1 -118.3996087  1     4     3     5
  H     1.10583935  1  113.0318873  1 -121.9753887  1     4     3    28
  H     1.13220968  1  113.2496520  1 -124.4196911  1    24    21    26