PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
sn(iv)cl4c2(2-) (arawar)
5579 Sn(IV)Cl4C2(2-) (ARAWAR)
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ΔHf: -105.1 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=-2 PM7
Sn(IV)Cl4C2(2-) (ARAWAR)
H=-105.1 HR=PW91D
Sn 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
Cl 2.45580372 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 2.19529903 +1 90.1596230 +1 0.0000000 +0 1 2 0
C 1.39568360 +1 120.8849230 +1 43.5339135 +1 3 1 2
H 1.09227729 +1 120.4060967 +1 0.0734630 +1 4 3 1
C 1.39655842 +1 121.0531201 +1 179.9688393 +1 4 3 5
H 1.08177793 +1 119.9831507 +1 179.9548963 +1 6 4 3
C 1.39395914 +1 120.1565324 +1 179.9673913 +1 6 4 7
H 1.08002820 +1 120.3593610 +1 -179.9907783 +1 8 6 4
C 1.39387401 +1 119.2949308 +1 179.9835989 +1 8 6 9
H 1.08176861 +1 119.8586257 +1 -179.9458134 +1 10 8 6
C 1.39653905 +1 120.1545474 +1 -179.9873950 +1 10 8 11
H 1.09227607 +1 118.5177001 +1 179.9538090 +1 12 10 8
Cl 2.45617065 +1 89.9908583 +1 -179.6457603 +1 1 3 2
Cl 2.45571110 +1 91.0195632 +1 -121.6759733 +1 1 2 5
C 2.19528393 +1 89.9910992 +1 -89.9457526 +1 1 2 15
C 1.39567747 +1 120.8718297 +1 135.7376125 +1 16 1 2
H 1.09230574 +1 120.4122503 +1 -0.0231634 +1 17 16 1
C 1.39647901 +1 121.0579693 +1 179.9968216 +1 17 16 18
H 1.08174693 +1 119.9869868 +1 -179.9831221 +1 19 17 16
C 1.39391114 +1 120.1562800 +1 179.9886858 +1 19 17 20
H 1.08002686 +1 120.3560884 +1 179.9661932 +1 21 19 17
C 1.39393940 +1 119.2936977 +1 179.9812251 +1 21 19 22
H 1.08174320 +1 119.8560362 +1 -179.9493242 +1 23 21 19
C 1.39657339 +1 120.1568692 +1 179.9853329 +1 23 21 24
H 1.09231351 +1 118.5164023 +1 -179.9521101 +1 25 23 21
Cl 2.45531368 +1 88.9251486 +1 -90.1842069 +1 1 2 16