NIST 08091211003D 1 1.00000 -539.53862 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 24 26 0 0 0 0 0 0 0 0999 V2000 -2.7739 -1.7330 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3918 -1.6785 0.0022 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8887 0.6729 -0.0059 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5335 -0.5480 -0.0039 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4765 0.7540 -0.0039 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7007 -0.4440 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5394 2.1195 -0.0042 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8172 2.0287 -0.0061 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3629 0.9442 -0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7538 -0.3467 0.0022 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6032 -1.4781 0.0063 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9802 -1.3477 0.0081 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5750 -0.0721 0.0058 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7733 1.0520 0.0018 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4617 1.5973 -0.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4314 2.9261 -0.0092 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0283 3.0908 -0.0059 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2180 2.0446 0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6572 0.0252 0.0073 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6050 -2.2369 0.0112 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1763 -2.4753 0.0081 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8359 -2.6099 0.0054 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2745 -2.6975 0.0019 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6190 -0.5960 -0.0054 H 0 0 0 0 0 0 0 0 0 0 0 0 3 15 1 0 8 16 1 0 7 17 1 0 14 18 1 0 13 19 1 0 12 20 1 0 11 21 1 0 2 22 1 0 1 23 1 0 4 24 1 0 13 12 2 0 12 11 1 0 11 10 2 0 10 9 1 0 9 14 2 0 13 14 1 0 9 7 1 0 7 8 2 0 8 5 1 0 5 3 2 0 3 4 1 0 4 1 2 0 1 2 1 0 2 6 2 0 10 6 1 0 5 6 1 0 M ISO 8 15 2 16 2 17 2 18 2 19 2 20 2 21 2 22 2 M ISO 2 23 2 24 2 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 > B6004259 > B3LYP/6-31G* > 0.0413 debye > -539.538622836 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 96.2185 0.0011 102.2732 0.5432 232.9716 2.3185 244.8623 0.0000 248.3340 0.3631 401.2466 0.0003 411.7845 0.4169 440.2580 4.1169 446.2957 1.8059 505.7326 0.7152 509.9265 2.8281 549.5400 0.0001 557.7715 0.3507 598.2216 0.0000 631.7650 5.1918 725.1252 0.0664 726.4140 1.4665 727.5991 2.6120 752.4560 60.4990 768.7867 0.0062 805.8706 0.0001 832.2319 46.1876 843.4421 0.1050 879.4447 0.0203 885.6547 10.0508 890.6973 1.5057 936.2431 0.0006 951.1379 3.4627 969.5249 0.0001 985.4709 0.0312 986.1521 0.0000 1017.4372 1.0411 1069.8218 4.1838 1072.0570 0.7154 1121.1281 0.9093 1174.4701 1.3992 1186.7317 0.0280 1197.3340 0.2920 1199.5137 0.5225 1237.1066 1.8456 1252.1160 0.4578 1279.7749 9.8372 1311.1369 0.0212 1335.3268 1.6347 1386.6405 0.0790 1390.5576 1.5463 1460.7463 0.2595 1467.7884 1.3556 1486.0086 2.6603 1506.9011 11.8568 1552.5622 5.9871 1580.5478 1.5456 1623.3253 0.0479 1661.4522 3.9511 1672.6661 0.3723 1677.6723 0.3811 3175.6520 0.1367 3178.5686 4.9334 3179.4998 3.6300 3187.9942 0.5394 3189.7907 16.8809 3195.9923 41.1483 3202.4981 44.3008 3206.5601 1.5899 3212.0168 29.8664 3224.3768 28.5774 > 1.61486 GHz 0.54991 GHz 0.41022 GHz > Gaussian 09, Revision C.01 > Daniel Du $$$$