|
GEO-OK SYMMETRY PULAY SHIFT=80 PM7 Chromium dioxide dichloride H=-127 HR=JANAF86 S=78.82 CP=20.20 XX 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0 Cr 1.00000000 +0 0.0000000 +0 0.0000000 +0 1 0 0 Cl 2.04364769 +1 126.4163907 +1 0.0000000 +0 2 1 0 Cl 2.04364769 +0 126.4163907 +0 180.0000000 +0 2 1 3 O 1.58888956 +1 57.8514990 +1 90.0000000 +0 2 1 3 O 1.58888956 +0 57.8514990 +0 -90.0000000 +0 2 1 3 3 1 4 3 2 4 5 1 6 5 2 6