NIST 08031215093D 1 1.00000 -604.18277 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 16 17 0 0 0 0 0 0 0 0999 V2000 -4.3198 -0.3420 -0.0094 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6911 -0.5098 1.3342 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1704 -0.7662 -1.0341 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0329 0.2856 0.0932 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8989 -1.0939 1.7274 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7233 -0.0307 2.1410 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7407 -1.5136 0.7091 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3688 -1.3459 -0.6407 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2975 -1.8090 -1.6832 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6742 0.4725 1.3323 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.9603 -1.6561 -2.8570 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.3556 -2.3214 -1.3196 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9332 -0.6610 -2.0854 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3641 0.6034 -0.6971 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1601 -1.2106 2.7729 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6952 -1.9761 0.9271 H 0 0 0 0 0 0 0 0 0 0 0 0 8 9 1 0 9 11 2 0 9 12 2 0 4 10 2 0 10 6 1 0 6 2 1 0 2 5 2 0 5 7 1 0 7 8 2 0 8 3 1 0 3 1 2 0 4 1 1 0 2 1 1 0 3 13 1 0 4 14 1 0 5 15 1 0 7 16 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 > 39835-28-4 > B3LYP/6-31G* > 1.6641 debye > -604.182765124 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 59.7287 0.0428 114.1451 7.3701 212.4330 3.5803 237.1553 1.5758 314.2065 0.2648 350.6595 0.0299 403.2883 2.4137 436.2773 1.2055 543.6553 4.2659 565.5595 0.3391 586.4626 3.5342 621.8367 5.4624 700.5340 22.7484 742.4953 13.7011 764.8220 14.8068 803.2378 22.7295 842.9651 7.5950 848.0905 22.6984 876.8741 33.1058 889.4659 4.0976 936.9754 17.3203 940.0703 2.2786 963.4207 12.3524 984.1070 0.7291 1095.1377 76.3988 1153.5203 13.4753 1210.1508 13.6630 1264.0007 4.7127 1298.8180 31.3185 1302.6710 8.8308 1396.2418 346.1086 1418.0638 1.9630 1476.4676 13.0898 1493.3691 2.9411 1572.4647 14.3745 1626.0642 104.4333 1660.2114 35.8272 1673.8924 107.3636 3237.2421 0.7036 3256.4238 3.1284 3257.2092 3.3949 3264.1523 1.3004 > 2.75693 GHz 0.59607 GHz 0.49011 GHz > Gaussian 09, Revision C.01 > Alexander Yang $$$$