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CHARGE=2 UHF SEXTET RELSCF=10 PM7 [Ru(NH3)5Cl]++ <Ru-N> <><> <><><> <><><> <><><> <Ru-Cl> GR=PW91D Ru 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0 N 2.20525600 +1 0.0000000 +0 0.0000000 +0 1 0 0 N 2.28400927 +1 100.2584755 +1 0.0000000 +0 1 2 0 N 2.30401688 +1 78.1212474 +1 -176.4597355 +1 1 3 2 N 2.30621017 +1 78.5775738 +1 -179.6338858 +1 1 2 3 Cl 2.12674155 +1 83.3795878 +1 -81.2802247 +1 1 2 5 N 2.24772200 +1 106.8450782 +1 -179.9979002 +1 1 2 6 H 1.01385351 +1 124.6305115 +1 178.8318346 +1 2 1 3 H 1.02306441 +1 107.7650208 +1 126.4260733 +1 2 1 8 H 1.01557964 +1 101.7943533 +1 112.6705770 +1 2 1 9 H 1.01262842 +1 109.1741662 +1 -25.3014688 +1 3 1 2 H 1.00998670 +1 131.1540960 +1 -136.6817480 +1 3 1 11 H 1.02534692 +1 91.2041202 +1 -114.7956210 +1 3 1 12 H 1.00879927 +1 136.5883389 +1 -51.9902359 +1 4 1 3 H 1.02286947 +1 94.9253759 +1 122.8184739 +1 4 1 14 H 1.01575719 +1 100.2155232 +1 107.3864117 +1 4 1 15 H 1.01015338 +1 115.0168340 +1 74.7290447 +1 5 1 2 H 1.01857605 +1 96.0075415 +1 112.5064587 +1 5 1 17 H 1.01695020 +1 121.8930946 +1 113.8649992 +1 5 1 18 H 1.01429181 +1 110.1002184 +1 -127.3176975 +1 7 1 2 H 1.01862290 +1 95.7190686 +1 110.5352314 +1 7 1 20 H 1.01113203 +1 126.7820139 +1 117.0404603 +1 7 1 21