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DHf: -284.2 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 Bi(III)Cl5(2-) (KAMWOK) H=-284.2 HR=PW91D Bi 0.00000000 +0 0.0000000 +0 0.0000000 +0 0.0000 Bi 4.47002877 +1 0.0000000 +0 0.0000000 +0 1 0 0 0.0000 Cl 2.82768175 +1 38.7114305 +1 0.0000000 +0 1 2 0 0.0000 Cl 2.67508566 +1 128.3240231 +1 0.9084255 +1 1 2 3 0.0000 Cl 2.66536891 +1 114.6324698 +1 -118.8435767 +1 1 2 4 0.0000 Cl 2.82762160 +1 38.7130889 +1 178.8130748 +1 2 1 3 0.0000 Cl 2.66528177 +1 114.6110424 +1 -117.9925002 +1 2 1 6 0.0000 Cl 2.67506372 +1 128.2996746 +1 118.6122386 +1 2 1 7 0.0000 Cl 2.66530123 +1 114.0264947 +1 118.0582008 +1 2 1 8 0.0000 Cl 2.66519720 +1 113.9531976 +1 -123.1722314 +1 1 2 5 0.0000