NIST 08101209283D 1 1.00000 -543.58802 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 32 31 0 0 0 0 0 0 0 0999 V2000 -0.3093 22.4901 -1.2840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9672 22.0402 -0.5662 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5629 23.1015 0.3722 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6346 23.3880 1.5462 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9345 22.6673 0.9321 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4868 27.4036 4.5982 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1412 26.1766 3.9424 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2987 25.6009 2.7812 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5067 25.1129 4.9906 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0590 25.0283 3.1853 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8205 24.6450 2.0136 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1379 22.5913 2.0386 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6734 21.7088 -1.9604 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1082 22.7062 -0.5669 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1341 23.3928 -1.8826 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7326 21.7760 -1.3077 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7623 21.1350 0.0174 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6992 24.0436 -0.1736 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3594 23.4377 1.5834 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6371 22.4864 0.1113 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8404 21.7407 1.5098 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1641 27.8596 5.3297 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5651 27.1401 5.1315 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2353 28.1682 3.8533 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0810 26.5183 3.4849 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8669 24.8054 2.2844 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1277 26.3882 2.0349 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9776 24.2388 4.5258 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2075 25.5202 5.7289 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6239 24.7622 5.5392 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6854 25.7747 3.6793 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0471 24.1550 3.8323 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 3 5 1 0 4 11 1 0 4 12 2 0 6 7 1 0 7 8 1 0 7 9 1 0 8 10 1 0 10 11 1 0 1 13 1 0 1 14 1 0 1 15 1 0 2 16 1 0 2 17 1 0 3 18 1 0 5 19 1 0 5 20 1 0 5 21 1 0 6 22 1 0 6 23 1 0 6 24 1 0 7 25 1 0 8 26 1 0 8 27 1 0 9 28 1 0 9 29 1 0 9 30 1 0 10 31 1 0 10 32 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. > 2012-08-10 > 27625-35-0 > B3LYP/6-31G* > 1.5379 debye > -543.588018633 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 12.4922 0.0133 31.5834 0.6142 45.5451 1.0773 63.0785 0.3385 100.0380 0.2120 113.8340 0.5084 171.1605 0.1136 184.9694 1.4521 219.8460 0.3139 229.6143 0.7815 233.5525 0.0306 239.2521 0.4561 247.4399 0.2077 276.2108 1.6418 337.6485 8.3484 352.8008 7.2112 374.7307 5.4194 395.7365 3.1152 436.1254 2.0892 475.4111 0.8856 577.8072 1.4619 637.8471 1.1221 759.5624 4.4578 774.4389 4.8073 803.0520 2.6308 809.5061 7.0790 847.6749 0.3349 888.0431 4.8960 939.0903 1.2223 974.7110 0.4131 974.7697 1.0963 983.7052 6.1361 993.0386 12.6529 1015.8698 2.9273 1022.8921 4.4208 1035.5609 18.3614 1037.9510 10.4512 1118.7672 29.5908 1137.8821 12.7618 1154.8704 1.2712 1187.6289 149.1627 1196.3227 51.1605 1215.1782 43.1668 1219.6390 200.5643 1287.1844 11.0315 1311.7142 30.7043 1329.8306 3.6712 1333.7486 17.5979 1352.5199 3.7724 1386.7038 15.7544 1388.1451 5.4972 1394.6092 3.1696 1411.4081 22.0884 1431.1011 6.3055 1432.2554 5.1994 1441.1697 4.7620 1447.1601 6.0633 1452.4472 6.4409 1510.5558 2.1447 1514.5677 0.9204 1516.3235 0.7807 1524.6436 3.5345 1526.3733 7.3502 1528.4522 1.1828 1530.3808 5.5723 1535.6962 11.1602 1537.3399 11.9513 1540.0750 6.1576 1540.9684 6.3102 1810.7555 157.0768 3018.4657 17.8792 3039.3198 26.5664 3043.3253 31.8461 3045.0887 19.6335 3046.5396 26.3426 3048.3754 8.7769 3053.6254 28.7814 3057.2667 15.1792 3087.8140 6.1507 3089.2746 6.1340 3097.6435 33.1574 3101.6058 8.2031 3108.8473 35.7778 3111.0912 74.6101 3111.9720 39.1580 3113.6450 48.2904 3123.0831 22.8162 3127.6451 44.1190 3131.0376 28.8170 3155.1744 17.1983 > 1.82352 GHz 0.36979 GHz 0.34790 GHz > Gaussian 09, Revision C.01 > Alexander Yang $$$$