NIST 08021413203D 1 1.00000 -581.25069 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 31 32 0 0 0 0 0 0 0 0999 V2000 6.1974 1.8527 0.1937 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7300 0.6260 -0.2384 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8194 2.0519 0.2647 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8327 -0.3947 -0.5963 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1986 0.4131 -0.3136 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4545 -0.1971 -0.5242 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9410 1.0276 -0.0936 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7694 -0.8200 0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1493 -1.0048 -0.0379 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0548 1.4434 -0.7380 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4407 1.2762 -0.8181 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9800 0.0317 -0.4605 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3296 2.4189 -1.2927 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3190 2.8665 -0.2002 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0685 2.0672 -2.5979 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8716 2.6475 0.5006 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4314 3.0069 0.6096 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2211 -1.3425 -0.9586 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7805 -0.9992 -0.8138 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8669 1.1824 -0.0379 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1342 -1.6254 0.3948 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5803 -1.9621 0.2443 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6229 2.3953 -1.0387 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0537 -0.1306 -0.5120 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6710 3.2714 -1.5082 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9056 3.7287 -0.5395 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7936 3.1507 0.7181 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0231 2.0648 0.0529 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6566 2.9224 -2.9518 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3638 1.7865 -3.3882 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7577 1.2270 -2.4515 H 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 11 13 1 0 13 14 1 0 13 15 1 0 1 2 1 0 2 4 2 0 4 6 1 0 6 7 2 0 7 3 1 0 1 3 2 0 5 8 1 0 8 9 2 0 9 12 1 0 12 11 2 0 11 10 1 0 5 10 2 0 1 16 1 0 3 17 1 0 4 18 1 0 6 19 1 0 7 20 1 0 8 21 1 0 9 22 1 0 10 23 1 0 12 24 1 0 13 25 1 0 14 26 1 0 14 27 1 0 14 28 1 0 15 29 1 0 15 30 1 0 15 31 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. > 2014-08-02 > 20282-30-8 > B3LYP/6-31G* > 0.3211 debye > -581.250687434 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 31.9394 0.0155 53.3253 0.0271 86.1953 0.2348 102.7884 0.3074 134.5517 0.1515 204.3266 0.1159 231.0706 0.0149 242.9736 0.1207 271.1870 0.0518 280.4473 0.0468 321.5639 0.3201 335.2819 0.2402 381.7389 0.0081 419.8622 0.1606 455.5389 1.6671 490.4984 2.3152 531.8482 1.4137 579.9977 0.7513 629.9469 4.1575 632.4177 4.4609 644.4565 3.2499 714.2211 19.1079 721.3286 8.9015 723.1566 7.6799 775.7079 43.6419 817.0184 8.6914 819.2389 4.1594 860.8984 0.3476 915.0262 4.8727 917.1033 2.3442 919.3314 4.5539 935.6402 0.8684 941.8598 1.4731 969.4055 0.3926 971.0089 0.0037 977.3306 0.3484 995.0267 0.1081 1013.8334 0.1667 1018.9538 0.1686 1050.6104 1.7330 1077.8797 8.5383 1081.1479 6.5061 1112.8397 3.4478 1131.4245 0.9292 1132.4973 3.5197 1186.4333 0.2191 1193.0465 0.0193 1207.9405 0.1898 1217.3576 0.6126 1233.2627 3.8929 1310.6465 0.5245 1321.5904 0.2032 1334.2073 4.3867 1357.5017 0.4994 1362.8930 3.1006 1371.7137 0.9503 1382.2197 7.4337 1425.2593 2.7221 1446.6765 1.6157 1468.7009 8.3424 1500.9003 4.8270 1517.8595 0.1278 1520.2474 2.2137 1530.4415 28.3707 1532.3360 1.4223 1540.2785 7.2668 1551.8669 2.6152 1630.4460 8.5348 1642.9514 2.1881 1659.6996 9.0660 1662.8605 17.0892 3031.8263 14.2523 3042.7846 25.8560 3046.9865 35.4008 3106.3564 0.0336 3112.7294 80.3452 3118.9204 24.0872 3120.7164 33.2961 3178.0973 4.9940 3179.1678 9.1060 3180.9607 7.1346 3186.5217 4.0385 3191.8239 29.9661 3196.9536 8.8328 3202.2081 26.7973 3205.8071 35.8071 3210.7286 18.0010 > 1.39444 GHz 0.29585 GHz 0.26454 GHz > Gaussian 09, Revision D.01 > Ethan Ho $$$$