NIST 06211413233D 1 1.00000 -330.51697 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 23 23 0 0 0 0 0 0 0 0999 V2000 -3.7602 -0.9904 -1.1401 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9638 -0.2174 -0.5522 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3131 0.8815 0.3450 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8667 0.9001 0.0571 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5362 -0.5104 -0.3051 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5268 1.9044 -0.9501 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2149 -0.6412 -1.0702 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4247 -1.3238 1.0011 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6122 -0.7270 -2.1943 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8892 -2.0776 -1.0985 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6202 -0.8663 0.0374 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5806 0.2194 -1.3442 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4710 0.6479 1.4043 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7395 1.8746 0.1752 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4429 1.9566 -1.0833 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8547 2.8838 -0.5869 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9849 1.7468 -1.9458 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9964 -1.7003 -1.2466 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2466 -0.1466 -2.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3824 -0.2197 -0.4949 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1850 -2.3708 0.7813 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6352 -0.9097 1.6366 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3567 -1.3139 1.5758 H 0 0 0 0 0 0 0 0 0 0 0 0 4 6 1 0 5 7 1 0 5 8 1 0 4 3 1 0 3 2 1 0 2 1 1 0 1 5 1 0 4 5 1 0 1 9 1 0 1 10 1 0 2 11 1 0 2 12 1 0 3 13 1 0 3 14 1 0 6 15 1 0 6 16 1 0 6 17 1 0 7 18 1 0 7 19 1 0 7 20 1 0 8 21 1 0 8 22 1 0 8 23 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. > 2014-06-21 > R405560 > B3LYP/6-31G* > 0.8286 debye > -330.516972838 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 62.3690 0.0334 136.9773 0.4928 225.8479 0.0341 238.7602 0.1381 266.9810 0.0806 316.6675 1.4394 324.1507 0.7284 365.5364 1.5301 399.5920 0.1820 457.1098 1.1966 482.0445 2.6181 589.0036 2.0237 671.7077 5.2090 736.7902 2.4108 765.9860 7.5835 835.7692 4.7093 892.9177 2.2055 907.7138 3.6388 942.1126 0.8914 959.0937 0.8506 1001.0783 0.9398 1010.1812 16.3097 1032.3855 2.3439 1054.1682 9.7685 1120.2067 9.2690 1164.0827 3.9649 1177.6143 9.8373 1189.4138 18.0722 1229.7604 7.1820 1251.6922 5.3010 1279.1810 9.0347 1282.3577 13.3853 1323.3178 3.7986 1326.7881 10.9767 1350.7125 9.6519 1373.4467 7.9412 1426.3111 8.4037 1446.5086 6.3643 1483.9654 0.3479 1510.5214 0.3447 1517.0837 3.5609 1520.7582 2.4205 1529.0496 1.3829 1532.4314 13.8628 1535.4334 3.4405 1541.3645 3.6680 1550.4443 2.2105 1553.2420 2.2631 2941.1507 76.5400 3048.7028 9.6208 3051.6663 5.1621 3054.4874 76.4282 3058.3370 21.0695 3071.1609 33.1741 3087.1344 15.2443 3089.6861 38.5593 3102.9991 10.4251 3113.2027 4.5385 3116.5669 57.1004 3120.3623 45.8772 3126.7565 58.5137 3130.1034 39.3178 3134.5727 23.1730 > 2.46575 GHz 2.11797 GHz 1.64721 GHz > Gaussian 09, Revision D.01 > Sejal Aggarwal $$$$