Accuracy
cd(ii)(nh3)6
5349 Cd(II)(NH3)6
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Geometry predicted using PM7
ΔHf: 243.9 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
Cd(II)(NH3)6
H=243.9 HR=PW91D
Cd 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
N 2.28864245 +1 0.0000000 +0 0.0000000 +0 1 0 0
N 2.28700198 +1 89.1147635 +1 0.0000000 +0 1 2 0
N 2.28599155 +1 89.7148885 +1 179.7297857 +1 1 3 2
N 2.28856634 +1 90.0088665 +1 -179.7566505 +1 1 2 3
N 2.28814366 +1 90.7046453 +1 -88.9604000 +1 1 2 5
H 1.01872428 +1 112.3348791 +1 -99.1941159 +1 6 1 2
H 1.01911699 +1 111.6984444 +1 -119.9596957 +1 6 1 7
H 1.01874107 +1 111.9811796 +1 38.5605379 +1 5 1 2
H 1.01895696 +1 111.7469717 +1 -119.7243536 +1 5 1 9
H 1.01867863 +1 111.9457856 +1 142.3617390 +1 4 1 5
H 1.01898587 +1 111.8737730 +1 119.7371472 +1 4 1 11
H 1.01855259 +1 112.2074052 +1 -148.3865138 +1 3 1 2
H 1.01877149 +1 112.1554454 +1 -120.1586762 +1 3 1 13
H 1.01869220 +1 112.1165830 +1 39.2232137 +1 2 1 3
H 1.01906376 +1 111.7850973 +1 -119.6865297 +1 2 1 15
N 2.28027828 +1 90.1916117 +1 178.2866737 +1 1 2 6
H 1.01881587 +1 112.1264865 +1 -4.3809688 +1 17 1 2
H 1.01892969 +1 111.7929245 +1 -119.9694032 +1 17 1 18
H 1.01856758 +1 112.2679327 +1 -119.9966766 +1 2 1 16
H 1.01890067 +1 111.8618985 +1 -119.8745667 +1 3 1 14
H 1.01847276 +1 112.3445231 +1 120.1532517 +1 4 1 12
H 1.01838237 +1 112.4151957 +1 -120.0481098 +1 5 1 10
H 1.01885404 +1 112.1115727 +1 -119.7827098 +1 6 1 8
H 1.01875584 +1 112.0681110 +1 -119.9093975 +1 17 1 19