PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
2-fluoropropane
1504 2-Fluoropropane
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ΔHf: -69.4 kcal/mol, REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
I.P.: 11.1 eV, REF: R. D. Levin, S. G. Lias, "Ionization Potentials and Appearance Potential Measurements," 1971-1981, Natl. Stand. Ref. Data Ser., Natl. Bur. Stand. 71, (1982), Cat. No. C13.48:71.
PM7
2-Fluoropropane
H=-69.4 HR=C&P1970 I=11.08 IR=LLNBS82
C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.53084679 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.53024922 +1 111.7961042 +1 0.0000000 +0 1 2 0
F 1.36176574 +1 108.2242408 +1 -119.1975178 +1 1 2 3
H 1.12420638 +1 110.5758257 +1 123.6420681 +1 1 2 3
H 1.09735128 +1 111.6505764 +1 179.3835209 +1 2 1 3
H 1.09737929 +1 111.6588927 +1 -179.3699409 +1 3 1 2
H 1.09511347 +1 110.9644811 +1 -60.6088822 +1 2 1 3
H 1.09743100 +1 111.8847841 +1 59.4192895 +1 2 1 3
H 1.09516549 +1 110.9462842 +1 60.6157697 +1 3 1 2
H 1.09749594 +1 111.8884528 +1 -59.4090624 +1 3 1 2