NIST 07021516293D 1 1.00000 -726.31619 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 20 20 0 0 0 0 0 0 0 0999 V2000 9.0365 1.0262 0.7592 S 0 0 0 0 0 0 0 0 0 0 0 0 7.9370 2.0741 -0.1541 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7436 1.5799 -0.2920 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6333 0.3477 0.3160 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7442 -0.1408 0.9404 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3962 3.4016 -0.6956 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3028 4.1573 -1.4622 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9128 -1.4361 1.6733 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8005 5.5021 -2.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6828 -0.1746 0.2735 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7627 4.0218 0.1355 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2653 3.2419 -1.3503 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9431 3.5295 -2.2851 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4413 4.3086 -0.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9720 -1.9956 1.6517 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6884 -2.0657 1.2207 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1871 -1.2807 2.7238 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0065 6.0255 -2.5441 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1355 6.1597 -1.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6444 5.3712 -2.6889 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 6 1 0 0 0 0 2 3 2 0 0 0 0 4 5 2 0 0 0 0 4 3 1 0 0 0 0 4 10 1 0 0 0 0 5 8 1 0 0 0 0 5 1 1 0 0 0 0 6 7 1 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 7 9 1 0 0 0 0 7 13 1 0 0 0 0 7 14 1 0 0 0 0 8 15 1 0 0 0 0 8 16 1 0 0 0 0 8 17 1 0 0 0 0 9 18 1 0 0 0 0 9 19 1 0 0 0 0 9 20 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. > 2015-07-02 > R217417 > B3LYP/6-31G* > 1.0813 debye > -726.316189908 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 25.4632 0.0957 77.5520 0.3325 122.5115 1.0222 137.3671 0.2793 162.1929 2.1864 239.2292 0.0213 276.4858 3.2653 306.2240 0.6195 306.8682 0.1262 371.5643 1.0101 509.3952 5.5738 534.9328 1.8479 612.3813 4.3238 662.9052 2.4944 729.6036 5.9751 750.2819 3.1922 774.6156 5.8008 862.9289 10.1276 885.5986 0.0017 908.9961 10.1272 1012.8431 0.7190 1052.6748 0.1231 1072.7104 51.1991 1073.3529 1.4119 1132.9618 0.0343 1142.5323 42.2735 1189.3238 6.0070 1215.6079 2.8534 1271.8468 0.0247 1320.2692 2.5235 1338.9791 0.6354 1340.4753 2.2610 1418.8924 0.7205 1441.9184 0.7327 1444.9879 0.7083 1503.9381 7.4853 1507.1594 7.7595 1518.1261 8.9550 1519.7520 1.9325 1529.3132 6.1634 1538.3852 5.5703 1561.5476 13.0101 1606.4896 18.6048 3023.7048 12.5657 3040.9838 37.9661 3045.4108 33.6518 3048.1166 10.7059 3068.0693 17.1722 3090.5062 2.2904 3098.2395 16.0653 3114.8572 39.2414 3116.0669 60.2528 3125.9591 12.7155 3221.5315 15.5808 > 4.43183 GHz 0.66450 GHz 0.58623 GHz > Gaussian 09, Revision D.01 > Ashley Zhang $$$$