NIST 07011511263D 1 1.00000 -314.47691 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 3.0042 3.4762 0.9314 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0120 3.6018 2.1056 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7833 2.6818 2.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0995 4.5076 0.9978 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0700 1.1697 2.0241 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4188 4.3112 1.1119 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7110 0.6690 3.3239 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1587 3.0043 1.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4234 2.4650 0.9009 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4459 3.6054 -0.0095 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5471 3.4184 3.0463 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6620 4.6422 2.1598 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0971 2.9207 2.8260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2405 2.9230 1.0751 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7494 5.5411 0.9635 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1216 0.6384 1.8668 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7083 0.8971 1.1728 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0541 5.1969 1.1554 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0893 0.9201 4.1925 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7008 1.1098 3.4889 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8354 -0.4199 3.3078 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4955 2.1357 1.1494 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7461 2.9400 2.1111 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8739 2.9131 0.3561 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 4 1 0 0 0 0 1 9 1 0 0 0 0 1 10 1 0 0 0 0 2 3 1 0 0 0 0 2 11 1 0 0 0 0 2 12 1 0 0 0 0 3 5 1 0 0 0 0 3 13 1 0 0 0 0 3 14 1 0 0 0 0 4 6 2 0 0 0 0 4 15 1 0 0 0 0 5 7 1 0 0 0 0 5 16 1 0 0 0 0 5 17 1 0 0 0 0 6 8 1 0 0 0 0 6 18 1 0 0 0 0 7 19 1 0 0 0 0 7 20 1 0 0 0 0 7 21 1 0 0 0 0 8 22 1 0 0 0 0 8 23 1 0 0 0 0 8 24 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 > 7642-04-8 > B3LYP/6-31G* > 0.2094 debye > -314.476905988 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 33.4530 0.0545 51.8111 0.0133 72.4981 0.0421 127.9203 0.2188 155.5233 0.0624 208.6750 0.0788 254.0627 0.0329 272.3665 0.0170 289.3930 0.0483 381.9816 0.1379 446.3890 0.2293 499.6508 0.7425 577.0885 8.5844 718.4721 20.2874 737.5264 11.0171 797.3694 3.5459 840.9214 1.5750 864.5254 2.4395 912.5748 1.8230 971.5534 2.4498 992.9623 3.6378 1012.7074 0.7938 1015.9825 0.7981 1030.2408 4.6964 1075.6001 0.6066 1086.0143 0.2252 1105.8366 0.4664 1141.4502 0.4515 1168.4659 0.6948 1218.8224 1.9284 1270.8888 0.0674 1309.0410 0.3879 1320.6002 1.5748 1322.9537 2.4528 1349.7986 4.2130 1390.3656 5.5355 1406.9543 6.4252 1413.3209 0.4443 1432.4849 5.7391 1445.2524 5.2969 1458.4499 8.5078 1508.1181 0.8572 1513.8846 4.1236 1515.3774 0.4726 1521.7456 0.5592 1523.4559 1.1431 1529.6203 7.5014 1534.9302 7.4142 1542.7100 2.2163 1749.2979 1.7627 3007.8147 22.2157 3018.1140 27.6646 3031.3372 37.3285 3033.1429 29.2203 3037.9618 18.4381 3044.1755 17.1830 3051.8587 31.2909 3064.5739 28.6817 3074.2699 34.6852 3075.1254 56.6623 3095.0890 29.7134 3107.8696 51.1772 3114.0815 56.2269 3123.8825 15.4040 3132.6496 12.4825 3152.5568 69.8066 > 3.19997 GHz 0.87982 GHz 0.74869 GHz > Gaussian 09, Revision D.01 > Ashley Zhang $$$$