NIST 06231413353D 1 1.00000 -389.43351 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 0.0554 -0.2115 0.6054 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0389 0.6505 0.2807 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4261 0.1991 0.2624 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5103 0.9554 -0.0388 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8590 0.4395 -0.0305 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0055 1.1056 -0.3307 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3168 0.4444 -0.2281 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6588 -0.5386 0.6176 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7310 2.0883 -0.0693 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0528 2.5398 -0.8048 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9875 0.0912 0.6273 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2680 -1.2470 0.8590 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5839 -0.8486 0.5211 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3645 2.0024 -0.2916 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9514 -0.6124 0.2386 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0856 0.8320 -0.8992 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6537 -0.9740 0.6010 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9667 -0.9335 1.3568 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2312 2.7813 0.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0788 2.3346 -1.0805 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3442 2.2833 -0.0241 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0647 2.9648 -0.9921 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5618 3.1802 -0.0718 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6285 2.6145 -1.7372 H 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 5 6 2 0 1 2 2 0 6 7 1 0 3 4 2 0 7 8 2 0 2 9 1 0 4 5 1 0 6 10 1 0 1 11 1 0 1 12 1 0 3 13 1 0 4 14 1 0 5 15 1 0 7 16 1 0 8 17 1 0 8 18 1 0 9 19 1 0 9 20 1 0 9 21 1 0 10 22 1 0 10 23 1 0 10 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. > 2014-06-23 > R516071 > B3LYP/6-31G* > 0.6696 debye > -389.433506557 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 51.2924 0.0192 75.1070 0.5215 87.4727 0.3187 119.8595 0.7389 121.3279 0.2644 189.4894 0.7024 205.1055 0.5054 210.9153 0.1743 275.8699 0.0862 294.2067 1.3740 355.0654 1.5859 414.3984 3.7964 436.6180 4.9161 496.9395 2.4608 521.6051 8.9444 533.6223 0.9109 615.9385 2.3300 693.7394 6.9392 711.3427 0.9431 811.8949 0.2370 870.9119 0.2621 884.5172 9.4514 913.1361 27.0953 923.8633 42.3920 930.5238 0.4358 1005.2200 8.0777 1009.0291 23.0344 1011.2255 11.6394 1032.4432 18.7923 1051.9181 2.5180 1060.4076 3.1006 1082.6012 10.1982 1084.6894 1.2951 1210.5389 2.4374 1213.3052 3.8270 1304.0242 1.2516 1341.5083 1.0323 1347.5897 7.7529 1355.6256 11.7629 1395.2763 3.9799 1437.3955 5.1426 1445.8019 4.8146 1469.3758 0.0934 1474.7190 10.1185 1511.7996 10.1812 1513.5181 3.3318 1520.7365 4.0930 1529.8085 12.6248 1649.6449 4.9719 1671.1332 5.7588 1696.7599 6.7538 1711.2220 2.7521 3036.1036 35.5338 3042.4734 18.9239 3078.8297 21.2251 3092.9886 21.6374 3133.3363 58.4110 3133.6058 8.2429 3146.5551 6.4415 3148.9597 17.7373 3156.0183 8.1601 3164.5504 10.1213 3167.8624 9.2183 3192.7583 26.7044 3244.0623 16.3380 3246.6449 17.3367 > 3.05535 GHz 0.50371 GHz 0.43738 GHz > Gaussian 09, Revision D.01 > Sejal Aggarwal $$$$