NIST 08031215033D 1 1.00000 -688.52183 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 17 18 0 0 0 0 0 0 0 0999 V2000 2.4243 2.1285 -0.0994 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4432 0.6941 -0.0523 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6686 -0.0321 -0.0906 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2081 -0.0032 0.0339 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1619 2.7903 -0.0574 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6231 2.8823 -0.1855 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9124 0.5397 -0.1733 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0074 0.6688 0.0724 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0149 2.0836 0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2340 2.2804 -0.2477 P 0 0 0 0 0 0 0 0 0 0 0 0 3.5904 -1.1187 -0.0504 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2293 -1.0899 0.0692 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1487 3.8768 -0.0931 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5099 3.9659 -0.2159 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7793 -0.1183 -0.1957 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9259 0.1165 0.1386 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9658 2.6085 0.0569 H 0 0 0 0 0 0 0 0 0 0 0 0 9 8 2 0 8 4 1 0 4 2 2 0 2 1 1 0 1 5 2 0 9 5 1 0 2 3 1 0 3 7 2 0 7 10 1 0 10 6 2 0 1 6 1 0 3 11 1 0 4 12 1 0 5 13 1 0 6 14 1 0 7 15 1 0 8 16 1 0 9 17 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. > 2012-08-03 > 253-37-2 > B3LYP/6-31G* > 2.2135 debye > -688.521833506 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 142.6379 0.0412 168.0554 0.3539 334.2818 0.9258 349.7870 0.1373 411.3979 0.3354 414.3686 1.7210 481.7367 8.2763 492.8856 0.2455 579.9168 1.2733 601.5666 1.3943 688.0057 3.7973 741.5897 1.2375 745.2555 2.3653 768.1539 0.5203 774.0427 23.3082 826.4295 32.4746 866.8940 23.5497 896.9517 3.7509 900.5907 2.0522 954.7097 0.5009 961.6232 2.5690 991.9877 0.1622 998.8853 0.2059 1056.5168 1.1666 1153.9395 3.2368 1186.8175 0.5638 1195.3718 0.4650 1218.5667 2.8325 1260.7154 0.4997 1308.9693 13.7874 1369.5220 0.0198 1416.2033 4.6255 1445.0773 3.0845 1460.0161 0.2175 1523.6849 4.8988 1572.4634 6.1158 1622.2287 4.7893 1671.8390 1.7866 3148.7409 12.3665 3159.0493 4.9314 3178.9974 13.5213 3181.4202 9.9575 3186.2830 0.8590 3198.9947 29.6539 3211.4955 28.3548 > 2.80579 GHz 0.90517 GHz 0.68438 GHz > Gaussian 09, Revision C.01 > Alexander Yang $$$$