|
SHIFT=80 PM7 Dimethyl niobium chloride <Nb-C> <><> <Nb-Cl> <C-Nb-Cl> GR=PW91D Nb 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0 C 2.12902600 +1 0.0000000 +0 0.0000000 +0 1 0 0 C 2.05630419 +1 106.5264382 +1 0.0000000 +0 1 2 0 Cl 2.31584000 +1 119.2836780 +1 130.1556360 +1 1 2 3 H 1.11755479 +1 110.9353615 +1 -127.9737687 +1 2 1 3 H 1.11224356 +1 112.4079052 +1 118.8759250 +1 2 1 5 H 1.11499162 +1 111.8199344 +1 121.2314578 +1 2 1 6 H 1.12857550 +1 111.8053720 +1 127.7338083 +1 3 1 2 H 1.12574510 +1 112.9131707 +1 119.6877213 +1 3 1 8 H 1.12241883 +1 113.6568532 +1 121.5582790 +1 3 1 9