Accuracy
ethylsilane
1883 Ethylsilane
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Geometry predicted using PM7
ΔHf: -15.0 kcal/mol, REF: W. C. Steele, L. D. Nichols, F. G. A. Stone, J. Am. Chem. Soc., 84, 4441 (1962)
Dipole: 0.8 Debye, REF: A. L. McClellan, "Tables of Experimental Dipole Moments," Vol 2, Rahara Enterprises, El Cerrito, (1974).
I.P.: 10.2 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
Ethylsilane
H=-15 I=10.18 IR=RDSH1977 DR=MCC1974 D=0.81 HR=SNS1962
H 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
Si 1.45448811 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.86417604 +1 108.3068561 +1 0.0000000 +0 2 1 0
C 1.53330241 +1 115.2729510 +1 -179.9867091 +1 3 2 1
H 1.45336442 +1 110.6437680 +1 -60.6117437 +1 2 3 4
H 1.45338078 +1 110.6633856 +1 60.5661907 +1 2 3 4
H 1.11838647 +1 109.3873110 +1 57.0616187 +1 3 2 1
H 1.11832043 +1 109.3740428 +1 -57.1132031 +1 3 2 1
H 1.10054691 +1 110.1827253 +1 -179.9083710 +1 4 3 2
H 1.09894600 +1 113.2453399 +1 61.4752231 +1 4 3 2
H 1.09894894 +1 113.2635232 +1 -61.2766211 +1 4 3 2