NIST 08031417213D 1 1.00000 -1190.70529 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 34 33 0 0 0 0 0 0 0 0999 V2000 190.0897 -0.1440 0.0003 S 0 0 0 0 0 0 0 0 0 0 0 0 188.4843 0.7727 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 188.7513 2.2796 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 187.4549 3.1022 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 187.7023 4.6165 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 186.4114 5.4454 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 186.6574 6.9598 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 185.3665 7.7887 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 185.6139 9.3031 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 184.3175 10.1256 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 184.5845 11.6325 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 182.9791 12.5492 -0.0003 S 0 0 0 0 0 0 0 0 0 0 0 0 189.5666 -1.3893 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 187.9112 0.4877 -0.8881 H 0 0 0 0 0 0 0 0 0 0 0 0 187.9107 0.4875 0.8875 H 0 0 0 0 0 0 0 0 0 0 0 0 189.3533 2.5415 0.8806 H 0 0 0 0 0 0 0 0 0 0 0 0 189.3538 2.5417 -0.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 186.8518 2.8327 -0.8795 H 0 0 0 0 0 0 0 0 0 0 0 0 186.8514 2.8325 0.8789 H 0 0 0 0 0 0 0 0 0 0 0 0 188.3070 4.8848 0.8789 H 0 0 0 0 0 0 0 0 0 0 0 0 188.3074 4.8850 -0.8784 H 0 0 0 0 0 0 0 0 0 0 0 0 185.8068 5.1762 -0.8788 H 0 0 0 0 0 0 0 0 0 0 0 0 185.8064 5.1760 0.8784 H 0 0 0 0 0 0 0 0 0 0 0 0 187.2620 7.2291 0.8788 H 0 0 0 0 0 0 0 0 0 0 0 0 187.2624 7.2292 -0.8784 H 0 0 0 0 0 0 0 0 0 0 0 0 184.7618 7.5204 -0.8789 H 0 0 0 0 0 0 0 0 0 0 0 0 184.7614 7.5202 0.8784 H 0 0 0 0 0 0 0 0 0 0 0 0 186.2170 9.5725 0.8795 H 0 0 0 0 0 0 0 0 0 0 0 0 186.2174 9.5727 -0.8789 H 0 0 0 0 0 0 0 0 0 0 0 0 183.7155 9.8637 -0.8806 H 0 0 0 0 0 0 0 0 0 0 0 0 183.7150 9.8635 0.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 185.1576 11.9175 0.8881 H 0 0 0 0 0 0 0 0 0 0 0 0 185.1581 11.9177 -0.8875 H 0 0 0 0 0 0 0 0 0 0 0 0 183.5022 13.7945 -0.0000 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 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 1 13 1 0 2 14 1 0 2 15 1 0 3 16 1 0 3 17 1 0 4 18 1 0 4 19 1 0 5 20 1 0 5 21 1 0 6 22 1 0 6 23 1 0 7 24 1 0 7 25 1 0 8 26 1 0 8 27 1 0 9 28 1 0 9 29 1 0 10 30 1 0 10 31 1 0 11 32 1 0 11 33 1 0 12 34 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. > 2014-08-03 > 1191-67-9 > B3LYP/6-31G* > 0.0000 debye > -1190.70529304 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 14.5557 1.9785 31.0998 0.7709 38.3408 6.8883 53.6454 0.0000 81.9453 0.0000 86.8899 0.0000 100.0196 0.0979 129.5267 5.8684 142.5958 0.0000 153.2437 0.0000 156.9424 3.2568 163.6416 0.0000 172.0712 0.8171 200.9827 37.0150 201.4820 0.0000 255.3833 0.0000 279.1027 2.0962 375.6219 1.5150 391.6956 0.0000 485.6492 0.0000 491.1699 1.3709 738.0748 9.3007 739.3776 5.0757 740.1071 0.0000 742.3726 0.0000 750.4804 3.3482 766.5581 0.0000 798.4433 1.2482 848.6583 0.0000 869.5894 0.0000 871.7389 2.7985 911.0556 1.0378 977.0820 0.0000 1001.2511 0.8281 1004.9341 0.0000 1038.8563 1.2810 1046.0087 0.0000 1046.2134 0.2850 1068.4182 0.0000 1073.8730 0.1284 1075.7763 0.0000 1093.8162 1.2547 1096.9426 0.0000 1107.4180 2.3405 1132.7087 0.0000 1232.4562 0.0000 1234.3673 15.1560 1259.2910 0.0000 1263.4016 0.7880 1285.3925 39.5671 1295.9866 0.0000 1316.5659 0.0000 1324.2674 0.7085 1340.8834 0.0000 1346.0140 0.0000 1349.4279 0.0621 1350.9847 26.8237 1357.3548 0.1234 1357.4122 0.0000 1383.9568 0.0000 1409.7428 10.7512 1423.9295 0.0000 1429.9389 0.0000 1430.0499 0.4053 1512.9529 0.6716 1514.0049 0.0000 1514.8925 0.0000 1517.6206 4.7749 1519.0441 0.0000 1519.1856 0.0813 1526.0793 0.0000 1533.9703 0.6753 1540.8081 0.0000 1545.1931 4.6341 2683.7232 62.5549 2683.7501 0.0060 3012.6489 0.0000 3013.8408 0.1600 3016.9175 0.0000 3017.3552 1.7202 3022.9776 0.0000 3028.7510 115.9183 3033.8421 0.0000 3037.2092 0.6079 3040.1442 0.0000 3040.4196 77.1875 3042.2017 0.0000 3051.0312 1.7374 3062.7198 0.0000 3068.5387 0.0000 3068.5761 79.2003 3072.7002 25.8688 3081.1496 0.0000 3083.4374 175.9151 3121.3625 0.0000 3121.4088 67.1877 > 6.57731 GHz 0.09333 GHz 0.09255 GHz > Gaussian 09, Revision D.01 > Ethan Ho $$$$