CHARGE=1 PM7 Fe(II)(H2O)5.Cl <Fe-Cl> <Fe-O> GR=PW91D Fe 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0 Cl 2.28939400 +1 0.0000000 +0 0.0000000 +0 1 0 0 O 2.05818100 +1 106.4111689 +1 0.0000000 +0 1 2 0 O 2.10451404 +1 77.8178288 +1 69.1653759 +1 1 2 3 O 2.11007058 +1 77.7837023 +1 117.1381758 +1 1 2 4 O 2.09689474 +1 107.3908930 +1 68.2417246 +1 1 2 5 O 2.11046805 +1 76.2443891 +1 176.2900721 +1 1 6 2 H 0.99584614 +1 110.6221275 +1 167.6136089 +1 7 1 5 H 0.99381280 +1 110.7697911 +1 -112.6399619 +1 7 1 8 H 1.00664809 +1 112.1872498 +1 4.1224751 +1 4 1 2 H 0.98354421 +1 111.4290064 +1 118.0205295 +1 4 1 10 H 0.99876257 +1 110.2659650 +1 -66.2192243 +1 6 1 2 H 0.99305969 +1 107.4615588 +1 111.7618310 +1 6 1 12 H 1.00221790 +1 110.8279041 +1 74.0407370 +1 3 1 2 H 0.99613423 +1 107.2613773 +1 -112.0781080 +1 3 1 14 H 1.00650241 +1 111.5585450 +1 -2.8835658 +1 5 1 2 H 0.98311960 +1 111.7232533 +1 -117.2244497 +1 5 1 16