CHARGE=1 PM7 Fe(II)(H2O)5.Cl H=-148.4 HR=PW91D Fe 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0 Cl 2.21634342 +1 0.0000000 +0 0.0000000 +0 1 0 0 O 2.10447436 +1 105.0517541 +1 0.0000000 +0 1 2 0 O 2.09937227 +1 101.0396263 +1 110.2836385 +1 1 2 3 O 2.08485111 +1 81.6342969 +1 72.4135706 +1 1 2 4 O 2.10930872 +1 78.3597667 +1 106.9366182 +1 1 2 5 O 2.14567821 +1 107.4446222 +1 -178.4784038 +1 1 6 2 H 0.98402501 +1 113.7870952 +1 161.0752912 +1 7 1 5 H 0.98109661 +1 112.7794673 +1 -120.0514996 +1 7 1 8 H 0.99031654 +1 108.5824146 +1 -45.3013334 +1 4 1 2 H 0.99113185 +1 113.6220446 +1 -116.7691560 +1 4 1 10 H 0.98595382 +1 110.1567018 +1 -114.7609589 +1 6 1 2 H 1.00793263 +1 111.5411219 +1 115.1299531 +1 6 1 12 H 0.99179898 +1 107.9958252 +1 40.2337922 +1 3 1 2 H 0.99655282 +1 110.2509936 +1 -112.2527046 +1 3 1 14 H 1.00483900 +1 111.0387197 +1 15.3535204 +1 5 1 2 H 1.00175513 +1 109.7600499 +1 -111.5974030 +1 5 1 16