PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
1,1,2-trifluoro-2-chloroethyl dodecafluoroheptylether
2432 1,1,2-Trifluoro-2-chloroethyl dodecafluoroheptylether
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ΔHf: -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.
INT PM7
1,1,2-Trifluoro-2-chloroethyl dodecafluoroheptylether
H=-810.684 HR=NIST
C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.55076212 +1 0.0000000 +0 0.0000000 +0 1 0 0
O 1.38172655 +1 105.4631443 +1 0.0000000 +0 2 1 0
C 1.41191683 +1 118.7940083 +1 171.2501132 +1 3 2 1
C 1.54206874 +1 106.1642084 +1 -99.2476214 +1 4 3 2
C 1.56939599 +1 114.2539736 +1 -165.2050308 +1 5 4 3
C 1.56465091 +1 114.4050269 +1 -173.0224842 +1 6 5 4
C 1.56779288 +1 113.7564709 +1 -168.3270598 +1 7 6 5
Cl 1.76186392 +1 107.7655016 +1 177.6459421 +1 1 2 3
F 1.33915623 +1 108.1860465 +1 62.0782238 +1 1 2 3
F 1.33253078 +1 112.2148892 +1 122.3598757 +1 2 1 3
F 1.33372394 +1 113.0314964 +1 -120.5032470 +1 2 1 3
F 1.33638555 +1 110.2372584 +1 -42.5033163 +1 5 4 3
F 1.33603866 +1 111.1396485 +1 71.4817399 +1 5 4 3
F 1.33499738 +1 109.6508135 +1 -50.1860509 +1 6 5 4
F 1.33454567 +1 109.6570335 +1 63.5458193 +1 6 5 4
F 1.33337988 +1 109.9359008 +1 -45.6739023 +1 7 6 5
F 1.33362562 +1 109.2481797 +1 68.2802350 +1 7 6 5
F 1.33354396 +1 109.7006642 +1 -40.1287383 +1 8 7 6
F 1.33454554 +1 108.7577911 +1 72.9715637 +1 8 7 6
C 1.56513290 +1 114.1729268 +1 -163.9376869 +1 8 7 6
F 1.33592429 +1 109.3780175 +1 -31.0661104 +1 21 8 7
F 1.33520282 +1 109.3532800 +1 -143.9660245 +1 21 8 7
C 1.56936896 +1 115.0892552 +1 92.8437012 +1 21 8 7
F 1.33932452 +1 108.1358492 +1 68.8654267 +1 24 21 8
F 1.33931455 +1 108.6703020 +1 -42.7053596 +1 24 21 8
H 1.12259426 +1 112.7899828 +1 -61.5256054 +1 1 2 3
H 1.11420692 +1 102.4918317 +1 143.0693633 +1 4 3 2
H 1.10566472 +1 114.3042629 +1 25.6875998 +1 4 3 2
H 1.13290368 +1 113.2405870 +1 -167.1126398 +1 24 21 8