|
CHARGE=-2 PM7 Hg(II)Cl4(2-) (DEYMUP) H=-222.4 HR=PW91D Hg 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0 Hg 3.67901154 +1 0.0000000 +0 0.0000000 +0 1 0 0 Cl 2.36227887 +1 124.7353339 +1 0.0000000 +0 1 2 0 Cl 2.48369894 +1 42.0067139 +1 -91.1173773 +1 2 1 3 Cl 2.36202960 +1 124.3266652 +1 -88.0787910 +1 2 1 4 Cl 2.36247244 +1 124.7195904 +1 178.6111477 +1 2 1 5 Cl 2.48443352 +1 42.0621337 +1 -88.8136769 +1 1 2 3 Cl 2.36196114 +1 124.3261958 +1 -90.2308412 +1 1 2 7