Accuracy
sic4 (bawnui)
1896 SiC4 (BAWNUI)
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Geometry predicted using PM7
ΔHf: -9.7 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
SiC4 (BAWNUI)
H=-9.7 HR=PW91D
Si 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.77577822 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.86282798 +1 108.9482242 +1 0.0000000 +0 1 2 0
C 1.86302724 +1 108.7896932 +1 -120.0226382 +1 1 2 3
H 1.10567092 +1 111.6958278 +1 -179.7116528 +1 3 1 2
H 1.10664121 +1 111.5761884 +1 120.0941281 +1 3 1 5
H 1.10662061 +1 111.5728285 +1 60.6692983 +1 4 1 2
H 1.10658359 +1 111.5701152 +1 -119.8632163 +1 4 1 7
H 1.10565953 +1 111.6956108 +1 -120.0881956 +1 4 1 8
C 1.86299922 +1 108.7991040 +1 -119.8993638 +1 1 2 4
H 1.10662685 +1 111.5701272 +1 119.8386442 +1 3 1 6
H 1.10658767 +1 111.5901226 +1 -60.7152053 +1 10 1 2
H 1.10659507 +1 111.5694584 +1 119.8740082 +1 10 1 12
H 1.10567639 +1 111.6874102 +1 120.0814639 +1 10 1 13
N 1.15807360 +1 143.5480170 +1 -179.9912736 +1 2 3 1