PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
perfluorobut-2-ene
1641 Perfluorobut-2-ene
(Previous)
(Back)
(Next)
ΔHf: -389.9 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
Perfluorobut-2-ene
H=-389.9 HR=NIST
C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.51256820 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.33857673 +1 125.7172401 +1 0.0000000 +0 2 1 0
C 1.51213964 +1 125.7990921 +1 -179.9002130 +1 3 2 1
F 1.32990465 +1 112.7479875 +1 -59.2268586 +1 1 2 3
F 1.32994660 +1 112.7063255 +1 119.5011351 +1 1 2 5
F 1.32769325 +1 113.3832224 +1 120.2521760 +1 1 2 6
F 1.33002749 +1 112.6986698 +1 59.7950086 +1 4 3 2
F 1.31711828 +1 113.6596563 +1 -179.9588147 +1 2 1 3
F 1.31726120 +1 120.4886865 +1 179.9687834 +1 3 2 4
F 1.32995363 +1 112.7262867 +1 -119.4284359 +1 4 3 8
F 1.32771378 +1 113.4326764 +1 -120.2891810 +1 4 3 11