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CHARGE=1 PM7 Technetium hexacarbonyl, cation <Tc-C> GR=PW91D Tc 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0 C 2.05247900 +1 0.0000000 +0 0.0000000 +0 1 0 0 C 2.01887043 +1 89.8110476 +1 0.0000000 +0 1 2 0 C 2.01889906 +1 89.8897194 +1 179.9907197 +1 1 2 3 C 2.01829950 +1 90.0345231 +1 -179.9994301 +1 1 4 2 C 2.01884074 +1 89.8492247 +1 90.0113066 +1 1 2 3 C 2.01880778 +1 89.8529938 +1 179.9836749 +1 1 2 6 O 1.13408601 +1 135.1172633 +1 179.9970755 +1 2 3 1 O 1.13541788 +1 134.9196183 +1 179.9985385 +1 4 2 1 O 1.13550283 +1 179.9814838 +1 83.9641343 +1 5 1 7 O 1.13541602 +1 134.9019470 +1 -179.9792149 +1 6 2 1 O 1.13541702 +1 134.9011663 +1 179.9615563 +1 7 2 1 O 1.13541231 +1 134.9201654 +1 179.9942782 +1 3 2 1