NIST 07011510463D 1 1.00000 -275.16417 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 21 20 0 0 0 0 0 0 0 0999 V2000 3.6219 2.2447 1.8761 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1356 1.8932 1.7406 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1637 2.6991 1.2846 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7936 0.4869 2.1821 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8883 3.3621 2.9040 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3053 2.5287 0.5240 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2351 4.1190 0.7922 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1101 1.3451 2.2769 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1559 2.2802 1.2582 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0686 0.3245 3.2342 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7265 0.2675 2.0743 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3536 -0.2586 1.5993 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9666 3.4900 3.0605 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4830 4.3260 2.5807 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4337 3.1207 3.8715 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9302 3.4442 0.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3880 2.6438 0.6589 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1385 1.7056 -0.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2395 4.5438 0.8168 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8702 4.1880 -0.2422 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5840 4.7696 1.3929 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 1 8 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 3 7 1 0 0 0 0 3 9 1 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 4 12 1 0 0 0 0 5 13 1 0 0 0 0 5 14 1 0 0 0 0 5 15 1 0 0 0 0 6 16 1 0 0 0 0 6 17 1 0 0 0 0 6 18 1 0 0 0 0 7 19 1 0 0 0 0 7 20 1 0 0 0 0 7 21 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 > 4914-91-4 > B3LYP/6-31G* > 0.1547 debye > -275.164173916 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 55.4906 0.0031 140.8257 0.3527 205.1985 0.8078 210.3651 0.2131 216.3166 0.3759 239.1101 0.2209 255.3555 0.0807 279.5234 1.0983 306.0097 0.1821 347.5176 0.8995 436.9969 0.4263 583.5703 1.4532 584.6954 1.8862 715.8314 0.2233 843.0783 9.7699 884.2129 1.0074 940.3650 0.3423 962.5174 7.2087 974.2362 0.0714 1059.6480 15.5541 1071.5690 1.6661 1079.3031 0.9015 1083.0945 2.3714 1142.3766 1.8573 1157.4724 3.0723 1182.7217 3.9698 1231.3862 0.1649 1376.7396 3.1579 1390.8621 4.5513 1414.8555 0.1166 1427.2656 3.6403 1437.5603 0.2157 1443.6299 1.6183 1453.5685 1.0825 1511.4918 1.9596 1511.5341 7.0396 1515.5184 2.2871 1519.2479 0.0280 1525.0381 8.5260 1528.6628 4.7108 1536.4483 5.8445 1540.8105 1.5062 1751.1814 0.1487 3015.6573 0.7180 3022.9464 66.1746 3030.1401 32.0893 3045.3134 30.2838 3050.1134 30.1658 3062.5652 29.8146 3067.8373 24.7557 3107.0603 18.6587 3109.8619 52.0535 3116.8845 11.7519 3125.9992 27.9280 3127.7255 26.3492 3132.3496 56.3031 3163.8004 34.2840 > 2.52553 GHz 2.24406 GHz 1.64346 GHz > Gaussian 09, Revision D.01 > Ashley Zhang $$$$