PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
geo4cl(-) (cldxge)
3928 GeO4Cl(-) (CLDXGE)
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ΔHf: -237.6 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.
CHARGE=-1 PM7
GeO4Cl(-) (CLDXGE)
H=-237.6 HR=PW91D
Ge 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
Cl 2.13041700 +1 0.0000000 +0 0.0000000 +0 1 0 0
O 1.79979944 +1 97.3402561 +1 0.0000000 +0 1 2 0
O 1.78589707 +1 108.9507165 +1 92.0974848 +1 1 2 3
O 1.79942225 +1 97.3884987 +1 87.8322314 +1 1 2 4
O 1.78609815 +1 109.1083469 +1 92.1405077 +1 1 2 5
C 1.31636208 +1 110.7406991 +1 107.1309519 +1 3 1 2
C 1.32077290 +1 110.9501059 +1 -95.7654931 +1 4 1 2
C 1.38004218 +1 124.7270470 +1 178.7185709 +1 8 4 1
C 1.40791107 +1 117.8054822 +1 -179.9553074 +1 9 8 4
C 1.38513675 +1 121.3656217 +1 -0.0731129 +1 10 9 8
C 1.38144398 +1 125.0728455 +1 -178.5100968 +1 7 3 1
C 1.31634842 +1 110.7708593 +1 107.5712682 +1 5 1 2
C 1.43971517 +1 114.2635014 +1 1.3475624 +1 13 5 1
C 1.38006860 +1 120.8611938 +1 179.7976998 +1 14 13 5
C 1.40798716 +1 117.8066622 +1 0.1850018 +1 15 14 13
C 1.38512767 +1 121.3750974 +1 -0.0685321 +1 16 15 14
C 1.38147647 +1 125.0652445 +1 179.9832986 +1 13 5 14
H 1.08074311 +1 121.0185468 +1 179.9067525 +1 9 8 10
H 1.08362464 +1 118.6639123 +1 179.9804404 +1 10 9 11
H 1.08397248 +1 119.9142850 +1 179.9728353 +1 11 10 9
H 1.08057032 +1 120.9194442 +1 0.1398179 +1 12 7 3
H 1.08081231 +1 121.0169919 +1 179.9145204 +1 15 14 16
H 1.08363074 +1 118.6640509 +1 179.9861781 +1 16 15 17
H 1.08399227 +1 119.9197925 +1 179.9592581 +1 17 16 15
H 1.08049705 +1 120.9250685 +1 0.0384066 +1 18 13 5