NIST 07011512033D 1 1.00000 -388.26527 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 22 23 0 0 0 0 0 0 0 0999 V2000 1.0386 2.4199 3.7495 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9611 2.2146 4.7725 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4849 2.5167 2.4303 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8413 2.4061 2.1076 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7769 2.1876 3.1454 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3184 2.1044 4.4650 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2362 2.0741 2.8198 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2109 1.3251 3.6935 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8372 0.7611 2.3461 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2910 2.5201 0.6699 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0216 2.5073 3.9725 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6316 2.1450 5.8059 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7654 2.6802 1.6307 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0379 1.9605 5.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6481 2.9533 2.3234 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8315 0.8114 4.5721 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2050 1.7442 3.8226 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1867 -0.1093 2.3311 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5714 0.7881 1.5452 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8549 1.6351 0.3518 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9520 3.3838 0.5179 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4348 2.6376 -0.0017 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 11 1 0 0 0 0 2 1 2 0 0 0 0 2 12 1 0 0 0 0 3 4 2 0 0 0 0 3 13 1 0 0 0 0 4 5 1 0 0 0 0 4 10 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 6 2 1 0 0 0 0 6 14 1 0 0 0 0 7 8 1 0 0 0 0 7 15 1 0 0 0 0 8 9 1 0 0 0 0 8 16 1 0 0 0 0 8 17 1 0 0 0 0 9 7 1 0 0 0 0 9 18 1 0 0 0 0 9 19 1 0 0 0 0 10 20 1 0 0 0 0 10 21 1 0 0 0 0 10 22 1 0 0 0 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. > 2015-07-01 > 27546-46-9 > B3LYP/6-31G* > 0.5844 debye > -388.265271194 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 49.2216 0.0739 123.0038 0.0811 150.8616 0.4657 187.6298 0.2074 216.1657 0.9345 316.1208 1.2066 343.9230 0.7480 458.1779 3.3452 475.9257 0.8309 489.5669 0.9166 559.3459 0.5527 592.9578 0.6035 719.4908 0.2666 744.0442 7.0033 769.2447 27.8389 804.8928 1.5110 818.7749 0.4238 841.7142 8.6986 885.0661 0.7673 916.6756 11.3712 939.1160 5.6513 950.2484 0.5309 982.5431 0.1327 1019.9383 2.5093 1064.6305 10.3902 1068.1787 5.0904 1075.9729 3.8350 1089.6799 1.9378 1102.1461 2.9970 1136.8386 3.8419 1141.1619 1.0964 1196.0052 0.1064 1205.2836 0.1637 1213.5876 1.0546 1228.6431 0.9436 1268.4700 6.3372 1325.3643 1.4382 1344.1879 0.0451 1412.3682 6.4865 1445.5177 0.5201 1491.5437 2.9298 1494.5568 0.1507 1513.8120 7.4779 1522.9974 6.2035 1533.1373 8.5084 1541.5976 13.3760 1633.4672 0.0811 1664.9293 3.5767 3039.3226 27.8509 3090.6336 18.7130 3124.9573 22.3774 3127.1129 13.6382 3144.3020 18.0396 3152.4692 11.6424 3172.8534 10.2484 3184.1810 9.2396 3197.1392 38.0991 3207.8111 22.9496 3220.6607 0.3313 3234.9694 25.1278 > 2.28070 GHz 1.10655 GHz 0.78735 GHz > Gaussian 09, Revision D.01 > Ashley Zhang $$$$