NIST 07181407343D 1 1.00000 -551.27587 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 18 18 0 0 0 0 0 0 0 0999 V2000 6.4088 1.7388 -0.8955 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8962 0.5066 -0.4688 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0256 1.9808 -0.8860 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0056 -0.4724 -0.0365 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6255 -0.2448 -0.0208 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5238 -1.7642 0.4100 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1397 0.9797 -0.4452 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4461 3.1401 -1.2801 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2772 4.2000 -1.7405 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7103 -2.6093 0.7893 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7444 -1.9363 0.3824 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1064 2.4969 -1.2303 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9586 0.2957 -0.4673 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9609 -1.0280 0.3220 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0759 1.1926 -0.4475 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6000 5.0148 -2.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9678 4.5352 -0.9568 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8480 3.9027 -2.6289 H 0 0 0 0 0 0 0 0 0 0 0 0 3 8 1 0 4 6 1 0 6 10 2 0 6 11 2 0 8 9 1 0 1 2 1 0 2 4 2 0 4 5 1 0 5 7 2 0 7 3 1 0 1 3 2 0 1 12 1 0 2 13 1 0 5 14 1 0 7 15 1 0 9 16 1 0 9 17 1 0 9 18 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. > 2014-07-18 > 100-17-4 > B3LYP/6-31G* > 5.9999 debye > -551.275872278 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 65.3227 0.1822 79.9841 0.0002 139.4550 8.2389 188.6476 1.7523 233.0009 0.2788 285.0576 2.7923 317.5818 0.0164 349.8085 0.4976 431.0643 0.0248 490.2839 2.4682 513.3021 3.2308 544.0754 2.0272 630.8522 19.1049 647.4926 9.0499 700.1723 7.5260 759.6416 26.3999 801.6783 1.6294 827.8450 1.6113 864.3875 43.1779 873.1913 36.4904 973.5703 0.4410 986.4162 0.6196 1025.4794 0.1110 1069.1265 62.3606 1137.3810 92.8518 1139.0740 15.8555 1182.8856 0.7591 1206.7628 30.8695 1217.3948 6.5708 1312.6235 373.8367 1330.5021 27.7035 1384.0984 160.8468 1396.9048 266.1396 1469.6125 0.7967 1498.1555 17.6406 1522.1080 7.0844 1531.4217 39.5987 1550.3241 60.5696 1610.2436 108.2637 1657.7112 157.8842 1666.9893 121.8095 3037.4372 48.3122 3101.8794 34.6457 3169.6283 19.4594 3223.2824 2.6050 3234.0409 5.8944 3252.1636 1.6161 3254.0030 1.4550 > 3.53199 GHz 0.58415 GHz 0.50286 GHz > Gaussian 09, Revision D.01 > Ethan Ho $$$$