PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
perfluorocyclobutane
1642 Perfluorocyclobutane
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ΔHf: -369.5 kcal/mol, REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
PM7
Perfluorocyclobutane
H=-369.5 HR=C&P1970
C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 2.23964140 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.58344070 +1 45.0177238 +1 0.0000000 +0 1 2 0
C 1.58342358 +1 45.0364072 +1 179.9786911 +1 2 1 3
F 1.32129864 +1 126.8995739 +1 -90.0452568 +1 1 2 3
F 1.32138488 +1 126.8242418 +1 90.0447709 +1 1 2 3
F 1.32132935 +1 126.8903296 +1 89.9526253 +1 2 1 3
F 1.32141679 +1 126.8171733 +1 -89.9520393 +1 2 1 3
F 1.32134452 +1 115.1116517 +1 117.8857947 +1 3 1 2
F 1.32133030 +1 115.1453063 +1 -117.9335474 +1 3 1 2
F 1.32131452 +1 115.1141603 +1 117.8846750 +1 4 2 1
F 1.32126952 +1 115.1572965 +1 -117.9548922 +1 4 2 1