NIST 06181416043D 1 1.00000 -436.75058 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 14 14 0 0 0 0 0 0 0 0999 V2000 6.6675 4.0133 -1.2459 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1849 2.9349 -0.9559 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3978 2.7340 -0.8988 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2889 1.8044 -0.6560 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8493 0.5715 -0.3268 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9110 2.0060 -0.7118 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9950 -0.4925 -0.0447 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6096 -0.3139 -0.0942 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0703 0.9320 -0.4268 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9267 0.4653 -0.2971 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5245 2.9835 -0.9728 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4120 -1.4613 0.2138 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9488 -1.1473 0.1269 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9937 1.0688 -0.4645 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 2 0 2 4 1 0 4 5 1 0 5 7 2 0 7 8 1 0 8 9 2 0 9 6 1 0 4 6 2 0 5 10 1 0 6 11 1 0 7 12 1 0 8 13 1 0 9 14 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. > 2014-06-18 > 98-95-3 > B3LYP/6-31G* > 4.5775 debye > -436.750582189 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 62.7627 0.0000 173.2654 1.2317 259.8278 1.1348 398.9450 1.4112 420.9073 0.0000 450.7977 0.0293 528.4529 1.0817 626.3305 0.0346 691.1985 4.0601 696.0476 11.4740 718.8102 67.2433 809.7153 9.7704 860.5164 0.0284 863.1905 33.3453 963.4236 3.2204 986.6279 0.0021 1012.3376 0.2689 1021.1502 0.2847 1049.7787 3.9948 1108.2389 7.3324 1129.3866 31.6207 1194.4116 0.2242 1205.4861 2.7270 1345.2716 0.6753 1374.2262 10.7335 1399.7056 280.1552 1504.5081 0.6115 1527.3541 7.9612 1625.9161 153.6313 1647.8786 4.0724 1677.3790 58.8057 3196.6709 0.7500 3209.1344 13.3931 3218.3469 14.3239 3252.6545 1.0381 3252.9209 2.0097 > 3.95893 GHz 1.28410 GHz 0.96961 GHz > Gaussian 09, Revision D.01 > Ethan Ho $$$$