NIST 07031502493D 1 1.00000 -2286.17414 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 60 90 0 0 0 0 0 0 0 0999 V2000 2.5860 1.3073 -1.8261 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1156 2.4521 -2.5876 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8289 1.2500 -0.5869 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9408 0.9743 -1.8324 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0679 3.1030 -1.8186 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0192 3.2188 -3.3241 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8907 2.3600 -0.5821 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9659 4.4944 -1.8170 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6187 3.0382 0.6065 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4574 0.8623 0.5970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6823 5.2009 -0.5790 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9072 5.2931 -2.5841 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5125 4.4878 0.6082 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4486 6.4360 -0.5810 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1018 4.9799 1.8423 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2734 2.6346 1.8398 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1739 1.5688 1.8350 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5717 3.8345 2.6036 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4102 1.6588 2.5939 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8689 0.5155 0.5906 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5955 0.5704 -0.5993 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4575 1.0073 1.8250 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9413 1.1192 -0.6047 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8820 1.7721 -2.6005 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4305 2.8721 -3.3308 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1181 1.8622 -1.8413 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1964 4.1074 -3.3330 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9126 4.6683 -3.3229 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2583 5.2175 -3.3282 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2054 6.4932 -1.8205 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7494 1.5348 1.8198 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5062 1.5921 0.5802 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0476 2.7350 2.5834 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2724 2.8271 0.5782 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8530 3.0482 -1.8430 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3831 4.1935 -2.6043 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4423 3.5403 -0.6090 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6814 5.3935 -1.8405 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5446 6.3693 -2.5946 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4972 7.0208 -1.8257 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7809 6.4592 -1.8358 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0859 7.5125 -0.5913 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0135 6.9089 0.6040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8367 6.1659 1.8405 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3592 7.4576 0.5985 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0728 6.2559 2.5998 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7584 3.9207 3.3323 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6965 2.8106 3.3274 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5243 5.1560 3.3301 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0422 3.3597 3.3221 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0140 7.0538 1.8317 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3688 6.7208 1.8254 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9356 4.8092 3.3234 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8392 5.5760 2.5869 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9889 3.5336 1.8163 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8868 4.9251 1.8179 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3361 4.9898 -0.6072 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0640 5.6681 0.5813 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4974 7.1657 -0.5977 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1259 6.7781 0.5862 C 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 1 4 1 0 1 2 1 0 3 10 1 0 3 7 1 0 10 20 2 0 10 17 1 0 20 21 1 0 20 22 1 0 21 4 2 0 21 23 1 0 4 24 1 0 7 9 2 0 7 5 1 0 17 19 2 0 17 16 1 0 22 31 2 0 22 19 1 0 23 32 2 0 23 26 1 0 24 26 2 0 24 25 1 0 2 6 1 0 2 5 2 0 32 31 1 0 32 34 1 0 31 33 1 0 34 55 2 0 34 37 1 0 33 55 1 0 33 50 2 0 9 16 1 0 9 13 1 0 19 48 1 0 55 56 1 0 48 50 1 0 48 47 2 0 16 18 2 0 26 35 1 0 25 6 1 0 25 27 2 0 13 11 1 0 13 15 2 0 6 28 2 0 5 8 1 0 27 29 1 0 27 36 1 0 28 29 1 0 28 12 1 0 8 12 1 0 8 11 2 0 50 53 1 0 35 37 2 0 35 36 1 0 18 15 1 0 18 47 1 0 29 39 2 0 12 30 2 0 11 14 1 0 14 30 1 0 14 43 2 0 15 44 1 0 47 49 1 0 49 46 1 0 49 53 2 0 30 40 1 0 40 42 2 0 40 39 1 0 42 45 1 0 42 59 1 0 39 41 1 0 37 57 1 0 46 44 2 0 46 51 1 0 36 38 2 0 38 41 1 0 38 57 1 0 44 43 1 0 53 54 1 0 54 56 2 0 54 52 1 0 43 45 1 0 45 51 2 0 41 59 2 0 59 60 1 0 51 52 1 0 57 58 2 0 56 58 1 0 52 60 2 0 58 60 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. > 2015-07-03 > 99685-96-8 > B3LYP/6-31G* > 0.0000 debye > -2286.17414412 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 265.6835 0.0000 265.9006 0.0000 266.0245 0.0000 266.0385 0.0000 266.2516 0.0000 342.6224 0.0004 343.3196 0.0002 343.4973 0.0006 357.4589 0.0001 357.5476 0.0001 358.1584 0.0000 358.9097 0.0003 408.1968 0.0001 408.3797 0.0001 408.4473 0.0002 408.6170 0.0004 408.7191 0.0000 436.5141 0.0000 437.3750 0.0000 437.4357 0.0000 437.7591 0.0000 438.3634 0.0000 489.2050 0.0000 489.4700 0.0000 489.8957 0.0000 490.2706 0.0000 496.8104 0.0000 536.4196 26.5060 537.4553 26.8352 537.8584 26.4503 540.4185 0.6411 541.0403 0.8572 541.2951 1.3970 541.6499 0.6639 542.3356 2.3316 566.3645 0.0000 566.6226 0.0000 566.7648 0.0000 571.2499 0.0000 572.1351 0.0000 572.6770 0.0000 576.3544 0.0000 576.4166 0.0000 576.6292 0.0000 576.9209 0.0000 588.2569 10.8010 588.4263 10.9757 588.6858 11.0324 679.0731 0.0002 679.3469 0.0000 679.4942 0.0000 679.6291 0.0001 679.7426 0.0002 718.3373 0.0000 719.1041 0.0000 719.5026 0.0000 719.7246 0.0000 720.4814 0.0000 722.3586 0.0002 723.1343 0.0009 723.7244 0.0004 736.2211 0.0000 737.5792 0.0000 738.0258 0.0000 741.4940 0.0003 742.2152 0.0004 742.8325 0.0001 743.4702 0.0012 743.7426 0.0004 751.2837 0.0001 752.0337 0.0009 752.7815 0.0005 753.0021 0.0003 754.8185 0.0000 755.0348 0.0000 755.9157 0.0000 757.1576 0.0000 766.3188 0.0000 766.5369 0.0002 766.6971 0.0000 766.9051 0.0001 787.5771 0.0000 787.7256 0.0000 787.7694 0.0000 787.9346 0.0000 787.9703 0.0000 804.8578 0.0000 805.0489 0.0000 805.3120 0.0000 840.2211 0.0000 840.5029 0.0000 840.7655 0.0000 966.0650 0.0000 977.5699 0.0000 977.6331 0.0000 977.9090 0.0002 982.7381 0.0000 982.8192 0.0000 982.8827 0.0000 983.1164 0.0000 1094.4254 0.0000 1094.5707 0.0000 1094.6386 0.0000 1094.6970 0.0000 1126.6640 0.0000 1126.7596 0.0000 1126.9674 0.0000 1127.0582 0.0000 1127.3623 0.0000 1200.9220 0.0012 1201.0711 0.0009 1201.3582 0.0012 1213.8386 8.9904 1214.2655 9.0192 1214.5681 9.0121 1244.8638 0.0002 1245.0819 0.0004 1245.1356 0.0001 1245.3870 0.0004 1245.5580 0.0011 1276.2797 0.0000 1276.4963 0.0000 1276.7178 0.0000 1277.1103 0.0000 1277.3315 0.0000 1302.3346 0.0000 1302.4694 0.0000 1302.4766 0.0000 1334.1519 0.0000 1334.4395 0.0000 1334.5928 0.0001 1334.7345 0.0001 1334.9906 0.0000 1335.0357 0.0000 1335.1683 0.0000 1335.7686 0.0000 1370.4182 0.0001 1370.5852 0.0000 1370.6789 0.0001 1370.8784 0.0000 1371.0014 0.0001 1371.7277 0.0000 1371.9636 0.0000 1372.1516 0.0000 1454.9468 0.0000 1455.0580 0.0000 1455.2033 0.0000 1455.3323 0.0000 1455.7182 0.0000 1460.7290 11.7947 1460.9789 11.7522 1460.9919 11.7324 1464.1945 0.0283 1464.3522 0.0102 1464.5017 0.0105 1464.8111 0.0426 1503.9156 0.0000 1538.1289 0.0000 1538.3327 0.0000 1538.5105 0.0000 1538.6318 0.0000 1566.9684 0.0000 1567.3237 0.0001 1567.4905 0.0001 1608.2834 0.0001 1608.3209 0.0000 1608.4708 0.0000 1608.7719 0.0001 1609.0482 0.0001 1617.5354 0.0000 1617.6902 0.0000 1617.8445 0.0000 1618.0061 0.0000 1618.2373 0.0000 > 0.08356 GHz 0.08356 GHz 0.08356 GHz > Gaussian 09, Revision D.01 > Daniel Graham $$$$