PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
si2cl6h2n (gilqex)
2627 Si2Cl6H2N (GILQEX)
(Previous)
(Back)
(Next)
ΔHf: -184.0 kcal/mol, REF: Estimated from DGauss results of DFT calculations, using the B88-PW91 functional and the DZVP basis set, in CAChe 6.0, Fujitsu Ltd, 2003.
PM7
Si2Cl6H2N (GILQEX)
H=-184.0 HR=PW91D
Si 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
Cl 2.02157025 +1 0.0000000 +0 0.0000000 +0 1 0 0
Cl 2.01981210 +1 107.0197033 +1 0.0000000 +0 1 2 0
H 1.46504628 +1 109.7329046 +1 -119.7155054 +1 1 2 3
N 1.76537946 +1 109.6216849 +1 -121.4778232 +1 1 2 4
Si 1.76392224 +1 129.3997610 +1 118.8373599 +1 5 1 2
Cl 2.02078882 +1 109.6205277 +1 -118.8901113 +1 6 5 1
Cl 2.02017378 +1 109.3627599 +1 -117.1385755 +1 6 5 7
H 1.46508251 +1 110.5640328 +1 -121.6672012 +1 6 5 8
C 1.49442368 +1 115.0514447 +1 178.3579923 +1 5 1 6
H 1.11329941 +1 112.8552697 +1 44.1477204 +1 10 5 1
H 1.11420548 +1 111.9053268 +1 -121.6763581 +1 10 5 11
H 1.11183796 +1 113.8498454 +1 -120.3163053 +1 10 5 12