PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
trimethylphosphine
1959 Trimethylphosphine
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ΔHf: -22.5 kcal/mol, REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
Dipole: 1.2 Debye, REF: A. L. McClellan, "Tables of Experimental Dipole Moments," Freeman, San Francisco, 1963.
I.P.: 8.6 eV, REF: H. M. Rosenstock, K. Draxl, B. W. Steiner, J. T. Herron, "Energetics of Gaseous Ions," J. Phys. Ref. Data, 6 Suppl. 1 (1977).
PM7
Trimethylphosphine
H=-22.5 HR=C&P1970 D=1.19 I=8.60 DR=MCC1963 IR=RDSH1977
C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
P 1.88144638 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.88150777 +1 105.0314691 +1 0.0000000 +0 2 1 0
C 1.88178441 +1 105.0127704 +1 -110.5149529 +1 2 1 3
H 1.10947130 +1 114.2410009 +1 51.6655334 +1 1 2 3
H 1.11615554 +1 110.8038064 +1 172.8897345 +1 1 2 3
H 1.11653650 +1 110.7400392 +1 -69.4992266 +1 1 2 3
H 1.10947074 +1 114.2996653 +1 -51.4984326 +1 3 2 1
H 1.11675683 +1 110.6712159 +1 69.6315056 +1 3 2 1
H 1.11605713 +1 110.8605619 +1 -172.7915687 +1 3 2 1
H 1.11603253 +1 110.8552637 +1 172.6230513 +1 4 2 1
H 1.11660252 +1 110.6806891 +1 -69.8129415 +1 4 2 1
H 1.10946373 +1 114.3052232 +1 51.3353112 +1 4 2 1