NIST 08091210373D 1 1.00000 -393.13677 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 30 30 0 0 0 0 0 0 0 0999 V2000 -3.7459 1.1798 0.9701 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9957 -0.0178 0.0362 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6764 0.4529 -1.2703 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9351 1.2785 -0.9484 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6853 2.4760 -0.0145 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0045 2.0053 1.2920 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6570 3.1600 2.2427 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9933 3.2444 0.2255 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0240 -0.7017 -2.2210 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6877 -0.7861 -0.2038 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2972 0.8213 1.9071 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9951 1.8412 0.5076 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6999 -0.6978 0.5446 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9641 1.1164 -1.7893 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3838 1.6370 -1.8854 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6859 0.6171 -0.4859 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9811 3.1561 -0.5229 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7169 1.3419 1.8110 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1311 2.7877 3.1301 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9994 3.8893 1.7512 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5473 3.6940 2.5900 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7098 2.6330 0.7901 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4670 3.5109 -0.7272 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8331 4.1724 0.7834 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5499 -0.3294 -3.1084 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6816 -1.4311 -1.7295 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1336 -1.2357 -2.5683 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9712 -0.1747 -0.7684 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2140 -1.0526 0.7489 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8478 -1.7142 -0.7617 H 0 0 0 0 0 0 0 0 0 0 0 0 6 7 1 0 5 8 1 0 3 9 1 0 2 10 1 0 1 6 1 0 6 5 1 0 5 4 1 0 4 3 1 0 3 2 1 0 1 2 1 0 1 11 1 0 1 12 1 0 2 13 1 0 3 14 1 0 4 15 1 0 4 16 1 0 5 17 1 0 6 18 1 0 7 19 1 0 7 20 1 0 7 21 1 0 8 22 1 0 8 23 1 0 8 24 1 0 9 25 1 0 9 26 1 0 9 27 1 0 10 28 1 0 10 29 1 0 10 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. > 2012-08-09 > 2090-38-2 > B3LYP/6-31G* > 0.0000 debye > -393.136773628 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 77.0400 0.0010 134.2897 0.0073 170.8060 0.0000 213.2135 0.0000 213.9837 0.0277 219.9482 0.0206 230.5985 0.0000 264.2115 0.0310 313.6160 0.0000 327.6841 0.0072 351.0997 0.0692 354.3504 0.0000 363.0527 0.0000 417.1696 0.0000 470.0554 0.0000 480.3752 0.0000 545.4519 0.0022 581.6656 0.4709 749.3027 0.0000 804.6690 0.0488 881.8840 2.6078 903.2497 0.0000 927.1581 0.3618 943.5761 0.0000 957.2240 0.0000 988.6922 5.2413 994.3329 0.0000 1000.7303 6.8346 1044.2521 0.5603 1052.8308 0.0000 1065.2817 0.0418 1073.6581 0.0000 1101.8543 0.0000 1146.5037 1.6784 1150.8037 1.7256 1196.8796 2.9959 1199.6102 0.0000 1217.9253 0.0000 1222.1770 0.0000 1290.7222 4.2401 1315.8884 0.0000 1329.2900 7.8659 1330.6506 5.8484 1361.7827 0.0000 1369.7363 0.0000 1381.5575 0.7177 1390.2606 1.4546 1404.6623 0.0000 1414.8313 0.0000 1417.8727 0.2270 1434.3154 0.0000 1436.8662 9.6278 1443.7103 0.0000 1444.8778 2.7290 1516.2313 1.0942 1516.8927 0.0000 1525.4281 0.0000 1526.6774 3.3558 1527.0009 24.4772 1531.4074 0.0000 1531.6276 7.8342 1532.0101 0.0000 1542.9627 0.0000 1543.8881 4.0890 2977.7590 0.0421 2982.5328 0.0000 2988.7615 21.9180 2991.5903 0.0000 3004.5405 0.0000 3011.1681 108.3317 3038.3982 0.0000 3038.9249 79.2797 3040.9224 66.5748 3041.5080 0.0000 3051.4969 0.0000 3051.9052 76.8212 3098.5740 1.4960 3099.1662 0.0000 3099.3897 0.0000 3100.3720 171.7308 3114.5255 0.0000 3115.0602 71.7643 3126.4733 77.3323 3126.5479 0.0003 > 1.85672 GHz 0.98268 GHz 0.68130 GHz > Gaussian 09, Revision C.01 > Alexander Yang $$$$