NIST 06291407523D 1 1.00000 -618.12719 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 30 32 0 0 0 0 0 0 0 0999 V2000 -3.5776 -1.2469 -1.4857 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3259 -1.6540 -0.1712 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0400 -1.5666 0.3666 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5436 -0.7437 -2.2838 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2614 -0.6533 -1.7532 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0083 -1.0641 -0.4292 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0152 -0.1426 -2.4066 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0394 -0.3337 -1.2952 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4189 -0.8674 -0.1453 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1608 -1.1319 1.0073 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5305 -0.8609 1.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1485 -0.3368 -0.1350 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4066 -0.0727 -1.2925 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1242 1.3164 -2.9258 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0219 1.7812 -3.7818 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7656 2.8648 -3.5539 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5831 -1.3231 -1.8908 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1386 -2.0427 0.4368 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8500 -1.8862 1.3881 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7482 -0.4327 -3.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2720 -0.7792 -3.2679 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6844 -1.5448 1.8930 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 -1.0617 1.8948 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2161 -0.1333 -0.1235 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8940 0.3393 -2.1705 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0471 1.3642 -3.5223 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2635 1.9922 -2.0739 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2288 1.1729 -4.6651 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5669 3.1614 -4.2257 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5981 3.4996 -2.6862 H 0 0 0 0 0 0 0 0 0 0 0 0 7 14 1 0 14 15 1 0 15 16 2 0 12 11 2 0 11 10 1 0 10 9 2 0 9 8 1 0 8 13 2 0 12 13 1 0 8 7 1 0 7 5 1 0 5 4 1 0 4 1 2 0 1 2 1 0 2 3 2 0 3 6 1 0 9 6 1 0 5 6 2 0 1 17 1 0 2 18 1 0 3 19 1 0 4 20 1 0 7 21 1 0 10 22 1 0 11 23 1 0 12 24 1 0 13 25 1 0 14 26 1 0 14 27 1 0 15 28 1 0 16 29 1 0 16 30 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. > 2014-06-29 > R572417 > B3LYP/6-31G* > 0.5025 debye > -618.127185324 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 50.0455 0.0110 77.8431 0.0456 97.9319 0.1852 120.2422 0.7054 136.3262 0.3204 176.4113 0.5363 208.3397 0.1538 277.1133 0.3146 304.9535 0.2982 347.4456 0.3004 418.1228 0.8832 423.8409 0.0960 441.6216 3.7025 460.8453 0.1394 517.3750 0.1875 536.2105 4.0391 574.6846 0.0347 590.1848 0.3293 633.6712 12.4820 636.1192 6.2707 672.9876 4.2567 743.9237 11.5733 755.9344 12.8625 758.3713 33.0468 772.7969 30.0171 799.7522 1.2688 806.2984 1.0073 867.3387 0.5359 884.3025 0.3596 888.8375 0.2585 933.5999 2.6522 939.1234 8.7424 943.0560 27.1997 949.7935 0.8577 975.9528 2.3342 978.6366 0.4054 981.5542 0.1833 1025.8818 2.0460 1029.0813 3.4478 1041.8938 9.1884 1057.0285 1.1026 1062.6274 4.5060 1125.8077 1.1292 1128.0695 2.8349 1139.3709 0.3415 1186.9697 0.0974 1190.6427 0.0443 1201.2842 2.5649 1211.5698 0.0971 1219.2955 0.6117 1252.2837 3.0165 1262.4609 2.8972 1310.4337 3.6487 1332.5338 0.0401 1337.4616 1.8916 1344.6402 0.7266 1356.2898 6.2993 1368.0436 5.7846 1395.1168 0.5592 1475.5434 0.9819 1492.7094 14.1344 1498.5197 20.3464 1506.9400 5.0079 1524.5958 0.9374 1527.0928 7.5363 1635.8323 1.0099 1640.4747 0.1778 1662.8992 0.5691 1663.5157 2.8963 1730.7429 5.6448 3008.7937 15.2327 3024.2627 23.3972 3088.2868 10.7307 3131.6184 26.3629 3159.5496 6.7500 3174.4498 8.7601 3179.2871 2.3964 3182.8224 3.4363 3189.9200 9.4242 3194.3235 27.1387 3203.0272 39.5054 3207.0819 36.8796 3216.8973 16.8314 3237.3014 19.7809 > 0.72289 GHz 0.48782 GHz 0.30329 GHz > Gaussian 09, Revision D.01 > Sejal Aggarwal $$$$