NIST 06171405023D 1 1.00000 -774.08881 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 24 24 0 0 0 0 0 0 0 0999 V2000 -1.4330 -0.0407 -0.2015 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8334 -1.4552 -0.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7049 -1.5758 -0.1893 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2006 0.7930 1.0676 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4843 -0.5705 -1.0686 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0812 0.6601 -0.3518 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1056 1.6756 0.2593 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2526 1.1647 1.4372 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1240 3.1169 0.8240 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.5188 -0.1357 -0.3378 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0860 0.5253 -1.0765 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2629 -2.0554 0.5725 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1796 -1.9245 -1.1737 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0584 -1.5011 0.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9597 -2.5949 -0.5063 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6438 0.2742 1.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7688 1.7268 0.9548 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8640 -0.2465 -1.9153 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3397 -1.0890 -1.5193 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7491 0.3151 0.4487 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7120 1.1948 -1.0706 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4702 2.1139 -0.5149 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7663 0.3192 1.9062 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2018 1.9438 2.2029 H 0 0 0 0 0 0 0 0 0 0 0 0 7 9 1 0 1 2 1 0 2 3 1 0 3 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 4 1 0 1 4 1 0 1 10 1 0 1 11 1 0 2 12 1 0 2 13 1 0 3 14 1 0 3 15 1 0 4 16 1 0 4 17 1 0 5 18 1 0 5 19 1 0 6 20 1 0 6 21 1 0 7 22 1 0 8 23 1 0 8 24 1 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. > 2014-06-17 > 1556-08-7 > B3LYP/6-31G* > 2.7146 debye > -774.088811189 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 83.5568 0.8581 140.4212 0.9024 190.3708 0.1486 226.4938 0.8089 250.4505 0.8155 284.8749 0.6636 301.9035 1.2591 341.4703 0.0980 401.0033 5.7448 429.0079 5.9488 476.1500 0.3154 522.3774 0.5727 699.9480 32.5247 734.4839 6.9153 778.0159 7.2551 813.8695 10.8236 823.7046 7.1338 848.5017 8.3140 883.1067 1.2866 959.5431 0.0636 981.2762 2.4025 985.7130 3.7789 1019.5309 0.8143 1057.1609 4.7296 1098.2300 0.1839 1110.3607 2.5207 1127.3330 0.2857 1150.5535 1.0450 1159.6922 1.2668 1216.5708 0.2947 1250.2910 6.3753 1272.8393 5.8324 1291.1224 5.0249 1302.7703 16.7457 1326.3704 2.9338 1336.1956 0.7464 1357.2966 1.2846 1382.0994 5.4724 1399.9018 2.6976 1406.6661 0.4391 1408.5568 0.1896 1416.4217 3.4370 1419.5377 2.5776 1430.4924 3.2293 1509.0232 0.2456 1513.1416 0.4299 1516.9360 1.8173 1522.2117 6.6600 1523.2222 7.4293 1537.5968 6.8284 1548.5779 10.1241 3021.3801 20.3756 3026.7335 23.8213 3034.3488 15.7698 3038.9510 24.2939 3044.7696 3.8926 3047.7040 20.5446 3053.8000 20.6675 3057.7707 27.4700 3070.0721 84.9703 3074.5249 12.8081 3077.5750 55.2299 3087.5107 66.2403 3092.5662 16.3874 3108.8208 22.5205 3119.0528 41.5707 > 2.19399 GHz 0.87298 GHz 0.68699 GHz > Gaussian 09, Revision D.01 > Ethan Ho $$$$