Accuracy
dimethylphosphine
1954 Dimethylphosphine
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Geometry predicted using PM7
ΔHf: -15.0 kcal/mol, REF: Y. Wada, R. W. Kiser, J. Phys. Chem., 68, 2290 (1964).
Dipole: 1.2 Debye, REF: A. L. McClellan, "Tables of Experimental Dipole Moments," Freeman, San Francisco, 1963.
I.P.: 9.1 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.
SYMMETRY PM7
Dimethylphosphine
HR=YK1964 H=-15.0 D=1.23 I=9.10 IR=LLNBS82 DR=MCC1963
C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
P 1.87424061 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.87424061 +0 106.1082179 +1 0.0000000 +0 2 1 0
H 1.48951814 +1 102.4653906 +1 -107.1492476 +1 2 1 3
H 1.11554160 +1 112.3247694 +1 50.9087472 +1 1 2 3
H 1.11554160 +0 112.3247694 +0 171.8782996 +1 1 2 3
H 1.11554160 +0 112.3247694 +0 -69.6833722 +1 1 2 3
H 1.11554160 +0 112.3247694 +0 51.1615380 +1 3 2 4
H 1.11554160 +0 112.3247694 +0 171.8010576 +1 3 2 4
H 1.11554160 +0 112.3247694 +0 -69.7876801 +1 3 2 4
2 1 3
5 1 6 7
5 2 6 7
5 1 8 9 10
5 2 8 9 10