PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
1,1,2-Trifluoro-2-chloroethyl perfluoroheptylether
2433 1,1,2-Trifluoro-2-chloroethyl perfluoroheptylether
(Previous)
(Back)
(Next)
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.
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