NIST 07011516093D 1 1.00000 -352.56618 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 25 26 0 0 0 0 0 0 0 0999 V2000 5.8772 1.5919 2.6743 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9915 2.8956 1.8462 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4211 1.0733 2.7442 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6984 3.7176 1.9288 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5002 2.9671 1.2897 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6467 1.4279 1.4678 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1811 3.4803 1.8455 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5715 4.7614 1.3295 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9186 3.4332 1.0201 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2512 1.7624 3.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5259 0.8236 2.2347 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1910 2.6533 0.7931 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8489 3.4878 2.1884 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9088 1.5172 3.6088 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4124 -0.0104 2.9125 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8222 4.6950 1.4472 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4763 3.9278 2.9852 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5053 3.1799 0.2103 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1796 1.0049 0.6052 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6536 0.9625 1.4723 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0509 3.2967 2.9131 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0815 5.2752 0.5178 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0802 5.4283 2.0331 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9891 3.0589 0.0011 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0189 3.1918 1.5142 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 2 1 1 0 0 0 0 2 12 1 0 0 0 0 2 13 1 0 0 0 0 3 6 1 0 0 0 0 3 14 1 0 0 0 0 3 15 1 0 0 0 0 4 2 1 0 0 0 0 4 16 1 0 0 0 0 4 17 1 0 0 0 0 5 4 1 0 0 0 0 5 7 1 0 0 0 0 5 18 1 0 0 0 0 6 5 1 0 0 0 0 6 19 1 0 0 0 0 6 20 1 0 0 0 0 7 9 1 0 0 0 0 7 21 1 0 0 0 0 8 7 1 0 0 0 0 8 22 1 0 0 0 0 8 23 1 0 0 0 0 9 8 1 0 0 0 0 9 24 1 0 0 0 0 9 25 1 0 0 0 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. > 2015-07-01 > 32669-86-6 > B3LYP/6-31G* > 0.0930 debye > -352.566181390 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 65.3506 0.0089 84.9626 0.0197 164.7349 0.0152 191.9000 0.0599 273.4367 0.0791 293.2806 0.0160 341.9984 0.2418 436.1061 0.4696 451.2503 0.3319 526.3733 0.0544 570.2709 1.1478 747.4131 0.5143 780.6230 1.4980 806.9319 0.1156 829.4785 0.3724 832.3636 5.1598 878.9004 3.2306 887.8326 6.4696 892.9128 3.7424 943.0582 2.3707 967.9691 4.2227 988.1218 0.5994 1031.0577 4.8361 1041.0308 0.8557 1062.6484 7.8762 1066.3143 1.1869 1081.0259 1.5023 1093.1318 0.3182 1112.7725 0.7540 1145.5246 0.1206 1151.0284 0.4938 1203.2319 1.7250 1207.1721 0.3796 1213.4645 1.4837 1234.4881 0.4208 1268.9216 0.1480 1287.0833 0.5823 1315.9200 2.3663 1322.6122 9.6887 1350.3836 0.2742 1360.6701 0.9877 1386.8573 0.3225 1395.0183 4.8932 1399.3673 0.9781 1401.8055 1.3727 1443.0540 0.6660 1496.0661 0.9279 1516.5899 0.0252 1522.1035 0.4584 1523.7982 1.8939 1533.0203 8.2843 1536.2285 0.6287 1545.0240 1.0196 3006.9262 16.0479 3022.9433 15.1672 3031.0292 6.3610 3032.7177 12.7159 3039.4012 64.2336 3042.7495 35.2458 3064.2315 24.5581 3075.4142 65.5527 3078.8417 77.4380 3079.9174 1.1008 3089.5479 95.8480 3124.7530 26.8623 3137.4913 24.4921 3142.5501 11.0006 3210.1720 0.4707 3224.4866 31.0101 > 3.41481 GHz 1.00045 GHz 0.85839 GHz > Gaussian 09, Revision D.01 > Ashley Zhang $$$$