NIST 08031215083D 1 1.00000 -1638.77656 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 20 19 0 0 0 0 0 0 0 0999 V2000 19.9784 20.1451 0.8369 P 0 0 0 0 0 0 0 0 0 0 0 0 22.2109 19.8526 0.8347 P 0 0 0 0 0 0 0 0 0 0 0 0 22.7205 21.6236 0.5460 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4965 17.4168 -0.5233 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7330 18.9983 -1.0753 S 0 0 0 0 0 0 0 0 0 0 0 0 19.4684 18.3749 0.5441 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6907 22.5846 -0.5125 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4533 21.0046 -1.0700 S 0 0 0 0 0 0 0 0 0 0 0 0 22.4040 22.2244 1.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 23.8107 21.6666 0.4711 H 0 0 0 0 0 0 0 0 0 0 0 0 22.2813 22.0407 -0.3659 H 0 0 0 0 0 0 0 0 0 0 0 0 22.7710 16.7782 -0.0146 H 0 0 0 0 0 0 0 0 0 0 0 0 23.8386 16.9126 -1.4313 H 0 0 0 0 0 0 0 0 0 0 0 0 24.3521 17.5984 0.1306 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7862 17.7718 1.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 18.3781 18.3321 0.4707 H 0 0 0 0 0 0 0 0 0 0 0 0 19.9062 17.9603 -0.3695 H 0 0 0 0 0 0 0 0 0 0 0 0 19.4172 23.2220 -0.0037 H 0 0 0 0 0 0 0 0 0 0 0 0 18.3467 23.0911 -1.4185 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8364 22.4013 0.1427 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 6 1 0 1 7 1 0 1 8 2 0 2 3 1 0 2 4 1 0 2 5 2 0 3 9 1 0 3 10 1 0 3 11 1 0 4 12 1 0 4 13 1 0 4 14 1 0 6 15 1 0 6 16 1 0 6 17 1 0 7 18 1 0 7 19 1 0 7 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 > 3676-97-9 > B3LYP/6-31G* > 1.0384 debye > -1638.77655951 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 32.5940 2.4509 39.0018 0.0192 49.0935 0.1374 98.7678 0.1011 111.2987 0.1672 123.9831 0.0668 139.5106 4.5097 170.2802 2.6603 182.2598 2.0082 208.1037 0.0025 215.8818 1.2186 221.1261 0.0516 225.2581 1.5030 288.6244 0.0343 293.2738 1.6114 384.5212 1.4710 455.8301 23.6592 467.7156 13.1465 681.5029 2.6808 687.0987 13.5055 697.6002 0.6946 698.0000 3.9172 899.7034 45.4830 919.3698 0.5048 926.3295 22.9938 944.4361 0.0677 990.3139 11.6280 990.7349 0.4545 1000.0854 0.1132 1001.3843 5.6097 1352.5028 0.4761 1353.6563 3.4055 1386.8223 19.4149 1387.3472 0.1526 1489.6342 3.8008 1490.4649 10.8916 1498.8579 10.8860 1498.9843 1.6301 1505.0824 5.4613 1505.3212 19.8747 1510.2956 18.9855 1511.1531 3.2144 3052.9743 0.6215 3053.2753 16.4787 3071.5726 59.7537 3071.7421 0.3752 3134.7035 1.0889 3134.7384 6.8934 3149.9092 0.0019 3150.3862 5.7675 3158.6304 8.0996 3158.6628 2.4523 3164.7331 5.3279 3164.7595 9.3887 > 1.48294 GHz 0.62038 GHz 0.57455 GHz > Gaussian 09, Revision C.01 > Alexander Yang $$$$