NIST 06161421163D 1 1.00000 -314.48206 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 24 23 0 0 0 0 0 0 0 0999 V2000 1.3795 -0.2921 -0.1733 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4273 1.1794 -0.4786 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6545 2.1493 0.0353 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4536 1.8900 1.0445 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7764 1.3349 0.4569 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7838 1.0638 1.5837 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8701 3.5927 -0.3579 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3835 2.2567 -0.6095 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3729 -0.6624 0.1146 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6846 -0.5365 0.6353 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0764 -0.8723 -1.0563 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1915 1.4719 -1.2006 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6798 2.8251 1.5771 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1031 1.1862 1.8110 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5436 0.3759 -0.0277 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7072 0.6208 1.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3734 0.3762 2.3332 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0553 1.9943 2.0995 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6587 3.6971 -1.1105 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0458 4.0452 -0.7605 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1545 4.1970 0.5155 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3152 1.8350 -1.0054 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6990 2.4004 -1.4522 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6196 3.2440 -0.1903 H 0 0 0 0 0 0 0 0 0 0 0 0 4 5 1 0 2 3 2 0 5 6 1 0 1 2 1 0 3 7 1 0 3 4 1 0 5 8 1 0 1 9 1 0 1 10 1 0 1 11 1 0 2 12 1 0 4 13 1 0 4 14 1 0 5 15 1 0 6 16 1 0 6 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 M END > Collection (C) 2016 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. > 2014-06-16 > R293139 > B3LYP/6-31G* > 0.1659 debye > -314.482062571 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 57.2457 0.0091 78.7075 0.0113 138.2498 0.2661 171.9052 0.0847 192.2998 0.8840 234.8050 0.0084 254.1693 0.2544 262.4118 2.2323 285.6313 0.0734 327.6723 0.1101 366.7255 0.2258 403.2443 0.3851 431.5805 0.0482 525.0737 3.3974 565.3367 0.7570 794.5535 1.5137 824.1341 1.1968 855.7746 9.5482 890.9809 0.8733 938.1042 1.8152 951.1482 3.3102 973.6437 0.0720 994.1980 0.3349 1055.7924 12.9795 1071.7855 1.2402 1079.1274 1.2298 1087.9022 0.7061 1146.1472 1.3213 1161.0512 0.9214 1202.9444 7.9262 1230.5104 2.0972 1293.5435 1.4567 1329.8457 5.0312 1381.4697 2.6069 1389.7984 2.3997 1400.3102 5.0344 1428.2017 5.2570 1441.0859 2.5726 1445.2122 1.1237 1447.0440 3.1875 1507.7821 0.2883 1510.2818 6.3460 1516.2141 2.3627 1519.6368 0.3382 1520.6897 2.5261 1527.9784 5.1447 1533.5090 5.3743 1534.9932 2.2186 1542.2315 10.8674 1749.3111 0.2164 3020.7095 7.6014 3026.3438 26.2880 3029.6882 47.2685 3029.9170 11.2580 3034.2336 30.7248 3040.6781 39.5623 3062.8034 33.3915 3070.4867 27.6839 3072.7439 25.1565 3095.9263 7.0615 3102.5713 63.6295 3107.4807 51.1410 3117.0379 45.6948 3119.6903 13.7537 3123.9031 0.4672 3141.6724 61.3612 > 2.46833 GHz 1.31925 GHz 1.03705 GHz > Gaussian 09, Revision D.01 > Sonia Dermer $$$$