Accuracy
cd(ii)s2n2cl2 (tchzcd)
5386 Cd(II)S2N2Cl2 (TCHZCD)
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Geometry predicted using PM7
ΔHf: 34.4 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.
PULAY PM7
Cd(II)S2N2Cl2 (TCHZCD)
H=34.4 HR=PW91D
Cd 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
S 4.86321016 +1 0.0000000 +0 0.0000000 +0 1 0 0
N 2.25733597 +1 29.6776151 +1 0.0000000 +0 1 2 0
Cl 2.51999993 +1 85.8876447 +1 -97.6760310 +1 1 2 3
N 2.62178642 +1 71.3174388 +1 104.1979416 +1 2 1 3
N 1.41416697 +1 160.3985712 +1 -31.1475926 +1 5 2 1
Cl 2.24165324 +1 118.7032115 +1 124.8531497 +1 1 2 4
N 4.35076544 +1 54.6861677 +1 172.6095681 +1 1 2 7
S 2.48971586 +1 41.9992998 +1 135.2243907 +1 1 8 2
N 1.41342373 +1 70.2232034 +1 146.7616454 +1 8 1 2
C 1.34158715 +1 117.1812756 +1 36.7003518 +1 10 8 1
N 1.38114699 +1 118.5204820 +1 172.8844666 +1 11 10 8
N 1.42383466 +1 114.7674874 +1 14.7222551 +1 12 11 10
H 2.03561990 +1 88.8221821 +1 -85.5258438 +1 3 1 2
H 1.04735116 +1 109.7189965 +1 -100.2671701 +1 3 1 14
H 1.03278121 +1 88.9413336 +1 -155.4339222 +1 5 2 6
H 1.02314359 +1 108.1633720 +1 72.0567160 +1 6 5 2
H 1.02078880 +1 113.2469981 +1 -120.6033103 +1 6 5 17
H 1.02526518 +1 70.2873598 +1 -118.2148050 +1 8 1 10
H 1.02550259 +1 119.9551783 +1 173.7707126 +1 10 8 11
H 1.03260169 +1 118.0314667 +1 142.6323468 +1 12 11 13
H 1.02751623 +1 110.4401420 +1 99.5516607 +1 13 12 11
H 1.02185044 +1 107.6093830 +1 120.1229284 +1 13 12 22
H 1.04289485 +1 112.6974296 +1 -118.1472671 +1 3 1 15
H 1.02046198 +1 179.6519716 +1 43.7969412 +1 8 1 19
C 1.38592053 +1 34.2453111 +1 151.6685998 +1 5 2 16
N 1.04391545 +1 42.1599927 +1 148.2250278 +1 14 3 1