NIST 08031214533D 1 1.00000 -700.32522 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 34 36 0 0 0 0 0 0 0 0999 V2000 7.6655 3.0917 -2.9495 Bi 0 0 0 0 0 0 0 0 0 0 0 0 6.4033 1.9603 -1.4356 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0358 5.1684 -2.2732 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5947 3.0280 -1.7496 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8524 1.6489 -0.1452 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1268 1.5314 -1.8281 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3942 6.2613 -3.0759 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2873 5.4009 -1.1116 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8986 3.9518 -0.7405 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5328 2.0325 -2.0592 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0379 0.9310 0.7359 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3110 0.8155 -0.9479 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0232 7.5609 -2.7210 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9142 6.7007 -0.7560 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1120 3.8750 -0.0502 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7457 1.9541 -1.3696 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7667 0.5144 0.3367 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2821 7.7818 -1.5588 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0362 2.8766 -0.3630 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8404 1.9642 0.1799 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7525 1.7523 -2.8267 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9695 6.1113 -3.9884 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9901 4.5693 -0.4779 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1912 4.7378 -0.4889 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3273 1.3050 -2.8432 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3988 0.6967 1.7347 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3226 0.4927 -1.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3113 8.3983 -3.3521 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3343 6.8672 0.1489 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3352 4.5978 0.7312 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4622 1.1752 -1.6195 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1352 -0.0447 1.0224 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9900 8.7916 -1.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9802 2.8194 0.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 1 0 2 5 1 0 5 11 2 0 11 17 1 0 17 12 2 0 12 6 1 0 2 6 2 0 3 7 1 0 7 13 2 0 13 18 1 0 18 14 2 0 14 8 1 0 3 8 2 0 4 9 1 0 9 15 2 0 15 19 1 0 19 16 2 0 16 10 1 0 4 10 2 0 5 20 1 0 6 21 1 0 7 22 1 0 8 23 1 0 9 24 1 0 10 25 1 0 11 26 1 0 12 27 1 0 13 28 1 0 14 29 1 0 15 30 1 0 16 31 1 0 17 32 1 0 18 33 1 0 19 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. > 2012-08-03 > 603-33-8 > B3LYP/GENECP > 0.0368 debye > -700.325217782 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 17.1741 0.0233 22.1271 0.0199 30.8528 0.0054 37.9382 0.0058 38.5951 0.0127 44.5000 0.0084 144.2443 0.9178 151.5596 2.2443 154.2507 2.3141 198.0227 0.0449 201.4465 0.9592 201.8158 1.1084 222.0359 13.3594 223.7837 13.1321 245.1939 9.1859 405.3749 0.0364 405.9678 0.0256 408.0166 0.0164 460.3299 6.2984 461.2348 6.1409 462.6803 6.2418 630.7082 0.0848 631.0709 0.0871 631.3427 0.0105 659.9413 0.1734 660.4941 0.2103 661.6413 0.3878 712.3489 16.5034 712.8290 14.4917 714.2362 10.1764 746.0624 29.9096 746.2316 31.3902 746.4812 27.2528 867.3069 0.0412 867.9103 0.0350 870.3384 0.0599 925.2903 0.3477 925.7208 0.3399 926.9528 0.0227 973.8142 0.0222 974.1812 0.0168 975.9889 0.0800 1000.6423 0.0270 1000.8993 0.0154 1001.5490 0.0022 1012.2189 13.7126 1012.3986 13.6574 1013.8153 1.2573 1039.1577 0.9538 1039.2924 0.9403 1041.4316 0.0021 1087.4279 6.8299 1088.0993 6.8117 1093.1348 1.4618 1102.6098 0.3898 1102.8738 0.3600 1103.5120 1.3524 1193.2542 0.0175 1193.4372 0.0855 1193.4900 0.1046 1220.7141 5.2266 1221.6530 5.8055 1223.2735 1.2533 1325.2771 2.0162 1325.8672 0.5403 1326.3945 0.5117 1364.0119 1.4682 1365.2071 0.8343 1367.1093 2.0278 1475.6010 6.1510 1476.2368 5.8580 1476.6334 14.9995 1526.1129 1.7197 1526.6887 5.7357 1527.6087 5.1824 1629.6821 0.0951 1629.9189 0.0404 1630.2440 0.3591 1634.1889 7.9791 1634.3504 7.9262 1635.9976 0.0486 3158.5396 13.5324 3158.8870 3.1055 3158.9387 2.5416 3176.3191 0.3919 3176.3812 0.3802 3176.4921 0.0496 3185.9348 12.6427 3186.0052 11.3696 3186.2010 29.3410 3195.0154 20.8231 3195.4137 19.8642 3195.8283 19.7906 3204.2427 55.9169 3204.3028 56.6047 3204.9316 24.2191 > 0.26305 GHz 0.26145 GHz 0.18547 GHz > Gaussian 09, Revision C.01 > Jeffrey Qiu $$$$