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PULAY PM7 Nb(V)Cl3N2O (ACYNNB10) <Nb-Cl> <Nb-Cl><Cl-Nb-Cl> <><><> <Nb-O><><> <Nb-N><><> <Nb-N> GR=CCDC Nb 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0 Cl 2.31299300 +1 0.0000000 +0 0.0000000 +0 1 0 0 Cl 2.34951900 +1 94.1068540 +1 0.0000000 +0 1 2 0 Cl 2.37787326 +1 109.7840952 +1 -156.8942530 +1 1 2 3 O 1.67816000 +1 99.5212977 +1 -103.8307325 +1 1 2 4 N 2.24472400 +1 162.3867071 +1 -147.6354405 +1 1 2 5 N 2.44016600 +1 85.7700621 +1 -31.6727458 +1 1 2 6 C 1.15842003 +1 162.0848151 +1 14.4537154 +1 6 2 7 C 1.43383086 +1 179.9435578 +1 -71.5217286 +1 8 6 5 C 1.16322635 +1 72.2280814 +1 172.8384474 +1 7 2 1 C 1.43477864 +1 179.7126573 +1 42.8484552 +1 10 7 2 H 1.10933617 +1 112.0885621 +1 -141.6769100 +1 9 8 7 H 1.11082822 +1 111.5564519 +1 119.8078795 +1 9 8 12 H 1.10987412 +1 111.9487143 +1 119.7509151 +1 9 8 13 H 1.10767243 +1 112.2701585 +1 132.0641632 +1 11 10 6 H 1.11435027 +1 111.2346633 +1 -119.5480395 +1 11 10 15 H 1.10912190 +1 112.0992429 +1 -119.2546833 +1 11 10 16