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OPEN(2,2) SHIFT=200 LET PM7 cis-Ni(II)F2.(H2O)2 H=-214.2 HR=PW91D D=6.48 DR=PW91D I=5.4 IR=PW91D Ni 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0 O 1.91546468 +1 0.0000000 +0 0.0000000 +0 1 0 0 F 1.64245418 +1 179.6128041 +1 180.0000000 +0 1 2 0 O 1.85873819 +1 89.3201673 +1 96.3073257 +1 1 2 3 F 1.66233543 +1 79.5765871 +1 177.1252597 +1 1 2 4 H 1.01116404 +1 99.4522731 +1 51.2713870 +1 2 1 5 H 1.01130378 +1 99.6023754 +1 -101.7254931 +1 2 1 6 H 1.02088248 +1 97.5273952 +1 -129.1596647 +1 4 1 2 H 1.02140374 +1 97.4416921 +1 -99.9667976 +1 4 1 8