PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
methylphosphine
1954 Methylphosphine
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ΔHf: -7.0 kcal/mol, REF: Y. Wada, R. W. Kiser, J. Phys. Chem., 68, 2290 (1964).
Dipole: 1.1 Debye, REF: A. L. McClellan, "Tables of Experimental Dipole Moments," Freeman, San Francisco, 1963.
I.P.: 9.7 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.
SYMMETRY PM7
Methylphosphine
H=-7.0 D=1.10 I=9.72 IR=LLNBS82 HR=YK1964 DR=MCC1963
P 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.86263362 +1 0.0000000 +0 0.0000000 +0 1 0 0
H 1.11202882 +1 115.4912358 +1 0.0000000 +0 2 1 0
H 1.12058386 +1 106.4475892 +1 124.1391309 +1 2 3 1
H 1.12058386 +0 106.4475892 +0 -124.1391309 +0 2 3 1
H 1.49335283 +1 103.7468768 +1 -52.2114029 +1 1 2 3
H 1.49335283 +0 103.7468768 +0 52.2114029 +0 1 2 3