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CHARGE=1 PULAY SHIFT=80 PM7 Co(III)(NH3)2(H2O)2ClF <Co-Cl> <Co-N><> <Co-F><><> <><><> <Co-O> GR=PW91D Co 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0 Cl 2.22879000 +1 0.0000000 +0 0.0000000 +0 1 0 0 N 1.97233700 +1 90.3185822 +1 0.0000000 +0 1 2 0 F 1.84630300 +1 89.9361413 +1 -179.5844894 +1 1 3 2 N 2.01097858 +1 89.6684619 +1 -179.7505239 +1 1 2 3 O 1.96513900 +1 88.4257810 +1 -81.4879828 +1 1 2 5 O 1.99526174 +1 91.2730508 +1 179.8486949 +1 1 2 6 H 1.02795187 +1 107.2695605 +1 -105.3406993 +1 3 1 2 H 1.02506878 +1 112.1702631 +1 118.5450740 +1 3 1 8 H 1.02033283 +1 111.9345326 +1 123.9896240 +1 3 1 9 H 1.02165016 +1 111.8665894 +1 23.6001293 +1 5 1 2 H 1.01872968 +1 111.3768864 +1 123.9967949 +1 5 1 11 H 1.02492738 +1 107.0321132 +1 117.6684424 +1 5 1 12 H 0.99379320 +1 109.7857530 +1 -26.1241288 +1 6 1 2 H 0.98588850 +1 111.6976914 +1 -119.3513017 +1 6 1 14 H 0.99003477 +1 108.9900818 +1 -28.0231634 +1 7 1 2 H 0.98628096 +1 110.4319596 +1 -117.8406148 +1 7 1 16