Tungsten, pentacarbonyl(triethyl phosphite-κP)-, (OC-6-22)- NIST 07141303463D 1 1.00000 -1444.35985 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 46 39 0 0 0 0 0 0 0 0999 V2000 -1.3857 -1.1007 0.3066 W 0 0 0 0 0 0 0 0 0 0 0 0 1.7905 -2.3694 -3.5572 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8911 -1.5710 -3.7384 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1847 0.2073 -2.3928 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7590 -0.8495 -2.5442 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7222 -5.1007 0.2834 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2210 -4.1953 -0.3489 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7446 -2.7250 1.2702 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3698 -3.6925 1.7984 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0503 3.9112 1.0892 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5112 4.5212 1.9809 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4900 0.3832 0.5681 P 0 0 0 0 0 0 0 0 0 0 0 0 0.7191 1.5176 1.7051 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2045 1.1500 -0.8511 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0487 -0.0195 0.3642 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3548 2.2681 2.3249 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1011 2.6939 3.7077 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8246 0.2140 -1.3634 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2067 0.7851 -1.2171 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6921 -0.9752 1.2527 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1912 -0.7212 1.1883 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9338 -2.9098 -2.6068 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5076 -2.6209 -4.3662 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1428 0.3737 -2.7212 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6828 1.0739 -1.9139 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0312 -5.3365 1.3199 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9368 -5.7534 -0.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1184 -2.0035 -0.4920 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4516 -0.4890 1.9054 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4426 2.8827 1.2137 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1872 4.3516 0.0802 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5564 3.1377 1.6906 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2539 1.6443 2.3748 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6811 3.2991 4.1812 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2912 1.8213 4.3422 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0127 3.2933 3.6389 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5292 -0.1380 -2.3456 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9988 -1.5009 0.9351 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2068 1.8775 -1.1599 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7167 0.4868 -0.2347 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8859 0.4449 -2.0059 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3169 -0.8398 2.2735 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4416 -1.9809 0.9034 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5565 -0.8567 0.1669 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7151 -1.4289 1.8415 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4280 0.2993 1.5264 H 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 0 2 22 1 0 0 0 0 2 23 1 0 0 0 0 4 5 2 0 0 0 0 4 24 1 0 0 0 0 4 25 1 0 0 0 0 6 7 2 0 0 0 0 6 26 1 0 0 0 0 6 27 1 0 0 0 0 8 9 2 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 10 11 2 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 12 15 1 0 0 0 0 12 14 1 0 0 0 0 12 13 1 0 0 0 0 13 16 1 0 0 0 0 14 18 1 0 0 0 0 15 20 1 0 0 0 0 16 17 1 0 0 0 0 16 32 1 0 0 0 0 16 33 1 0 0 0 0 17 34 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 18 19 1 0 0 0 0 18 37 1 0 0 0 0 18 38 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 20 21 1 0 0 0 0 20 42 1 0 0 0 0 20 43 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 21 46 1 0 0 0 0 M END > Collection (C) 2016 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. > 2013-07-14 > 23306-43-6 > Tungsten, pentacarbonyl(triethyl phosphite-κP)-, (OC-6-22)- Tungsten, pentacarbonyl(phosphorous acid)-, triethyl ester Tungsten, pentacarbonyl(triethyl phosphite-P)-, (OC-6-22)- Pentacarbonyl(triethylphosphite)tungsten > B3LYP/GENECP > -1444.35984639 hartree > 6.2752 debye > 0.1938381 GHz 0.1605158 GHz 0.1257749 GHz > Gaussian 09, Revision D.01 > Michael Liou $$$$