PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
diethylphosphine
1961 Diethylphosphine
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ΔHf: -25.0 kcal/mol, REF: Y. Wada, R. W. Kiser, J. Phys. Chem., 68, 2290 (1964).
PULAY PM7
Diethylphosphine
HR=YK1964 H=-25
C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.53932565 +1 0.0000000 +0 0.0000000 +0 1 0 0
P 1.91339601 +1 114.8081606 +1 0.0000000 +0 2 1 0
C 1.91310695 +1 104.1585436 +1 171.7665797 +1 3 2 1
C 1.53933204 +1 114.8424857 +1 -170.1024616 +1 4 3 2
H 1.10123625 +1 109.1978526 +1 -176.3015522 +1 5 4 3
H 1.09892425 +1 113.7702321 +1 65.0770193 +1 5 4 3
H 1.10190891 +1 113.5758413 +1 -58.1095937 +1 5 4 3
H 1.12764505 +1 108.1662549 +1 69.0265106 +1 4 3 2
H 1.12113458 +1 111.3836809 +1 -46.1773235 +1 4 3 2
H 1.49074569 +1 102.5528100 +1 65.0274258 +1 3 2 1
H 1.12104305 +1 111.4027953 +1 47.8098865 +1 2 3 4
H 1.12754774 +1 108.1671491 +1 -67.4249197 +1 2 3 4
H 1.10120226 +1 109.1956615 +1 176.1927208 +1 1 2 3
H 1.10189421 +1 113.5948936 +1 57.9828850 +1 1 2 3
H 1.09896026 +1 113.7625540 +1 -65.1818314 +1 1 2 3