NIST 08031215063D 1 1.00000 -386.29616 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 20 20 0 0 0 0 0 0 0 0999 V2000 -3.8592 1.3733 -1.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3919 0.5318 0.1497 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6055 -0.9572 -0.0527 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6449 2.8746 -0.8279 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1696 -1.6722 1.0859 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8408 -1.4444 -1.1593 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8405 -2.9682 0.6026 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2132 -2.6649 -0.7649 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3220 1.0448 -1.9417 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9247 1.1791 -1.2327 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9318 0.8280 1.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3232 0.6918 0.3387 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6708 -1.1823 -0.2478 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9842 3.4531 -1.6945 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1963 3.2337 0.0499 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5843 3.1043 -0.6684 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1595 -3.4411 1.3143 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7444 -3.5889 0.4990 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4123 -3.4435 -1.5102 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1281 -2.5145 -0.6902 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 4 1 0 2 3 1 0 8 7 1 0 7 5 1 0 5 3 1 0 3 6 1 0 8 6 1 0 1 9 1 0 1 10 1 0 2 11 1 0 2 12 1 0 3 13 1 0 4 14 1 0 4 15 1 0 4 16 1 0 7 17 1 0 7 18 1 0 8 19 1 0 8 20 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 > 3390-13-4 > B3LYP/6-31G* > 1.1003 debye > -386.296160147 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 48.6195 4.1294 95.7450 1.2486 98.7676 0.3265 143.0091 0.1599 239.2264 3.0618 255.9442 0.6890 318.2763 0.3541 386.2402 5.5351 525.5963 6.0719 671.7705 2.7652 719.9680 2.8305 758.1435 1.6398 839.5076 22.3732 900.7752 5.3889 916.9982 3.5337 942.5444 10.0488 957.6840 10.7182 1000.0027 48.3019 1048.0269 36.0281 1062.3224 14.3391 1086.5616 23.1499 1137.3583 34.7081 1158.4288 136.2750 1167.2887 22.9795 1192.6500 54.7202 1235.0103 1.2329 1258.4596 18.1392 1277.2411 2.1878 1311.5428 2.3766 1343.0475 1.3356 1351.1544 0.7152 1397.5360 9.9028 1402.0952 2.4127 1421.3424 11.7269 1441.4723 2.3683 1457.4595 60.9576 1507.8411 2.5768 1525.2180 1.1474 1530.0106 6.3993 1540.3397 2.1500 1541.6307 2.5070 1559.7431 1.2081 2948.1457 87.0706 3009.4986 60.4434 3032.5982 23.4253 3040.3398 66.8259 3041.6000 22.6411 3047.9831 31.1637 3076.8686 4.3641 3088.1369 53.8646 3094.6640 7.5744 3111.5019 78.3529 3113.3774 43.2847 3133.0031 33.2984 > 5.65796 GHz 1.03093 GHz 0.92887 GHz > Gaussian 09, Revision C.01 > Alexander Yang $$$$