NIST 07091419223D 1 1.00000 -952.98851 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 24 24 0 0 0 0 0 0 0 0999 V2000 4.4747 -1.7603 -0.1349 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7886 -2.4362 -0.1661 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2581 -2.4940 -0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3949 -0.3643 -0.2012 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9641 -3.6383 -0.1151 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8325 -1.5682 -0.2605 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0688 -1.8756 -0.0087 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2443 -4.2675 0.0534 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.2767 -6.4548 0.3395 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2134 -6.1068 0.2433 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4357 -4.5927 0.1642 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1568 0.2664 -0.1713 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0265 -0.5430 -0.0741 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3114 0.2100 -0.2756 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6318 -2.1262 -0.2724 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4229 -7.5394 0.3929 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7318 -6.0114 1.2332 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8280 -6.0853 -0.5334 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6486 -6.5908 -0.6405 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7441 -6.5137 1.1137 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0357 -4.0861 1.0468 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9415 -4.1641 -0.7118 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0679 1.3465 -0.2212 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0305 -0.1032 -0.0465 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 5 2 0 2 6 1 0 3 8 1 0 8 11 1 0 9 10 1 0 10 11 1 0 12 4 1 0 4 1 2 0 1 3 1 0 3 7 2 0 7 13 1 0 12 13 2 0 4 14 1 0 6 15 1 0 9 16 1 0 9 17 1 0 9 18 1 0 10 19 1 0 10 20 1 0 11 21 1 0 11 22 1 0 12 23 1 0 13 24 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. > 2014-07-09 > 175135-22-5 > B3LYP/6-31G* > 2.4173 debye > -952.988510462 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 34.7638 2.0302 62.1328 0.0446 77.0202 0.1152 85.7195 0.9350 116.8022 0.5706 145.2731 1.6805 174.2651 3.8977 219.1351 1.2296 246.1744 0.0441 259.5619 0.6077 284.8503 0.0702 357.6026 11.3647 392.8082 0.0900 429.8271 1.0056 488.0071 1.3426 505.1529 0.7023 527.9108 10.7895 603.1976 100.1905 642.8093 29.6538 696.1646 56.7295 735.1071 11.9556 752.1837 0.6243 754.8716 6.6671 773.4768 50.9654 818.4703 17.7530 832.1910 1.0098 878.7410 0.0139 914.7126 4.7252 981.9312 0.0343 995.1991 0.3159 1050.1099 0.0719 1066.5491 94.4164 1084.3681 1.3687 1089.8651 51.6091 1118.0402 7.2997 1152.6874 79.7484 1167.7996 92.9250 1215.4061 246.6620 1253.8146 0.2154 1277.6242 23.0599 1280.9446 5.1029 1315.0012 6.6785 1337.4108 0.1873 1391.7482 86.7025 1395.8966 2.0712 1440.2736 2.5567 1446.2055 178.2010 1487.8163 7.6913 1500.9104 8.8958 1523.3697 1.1551 1529.0300 6.3758 1539.1171 2.9769 1598.4716 88.7439 1639.1036 81.8686 1809.6268 255.5402 3044.7514 14.6075 3046.5184 32.9763 3076.1046 5.4345 3088.1007 15.6277 3112.5995 37.0057 3117.5023 39.5279 3140.8640 21.1718 3173.0420 24.7154 3218.6868 10.9925 3239.3894 3.9496 3702.2208 85.9978 > 1.18866 GHz 0.42092 GHz 0.31266 GHz > Gaussian 09, Revision D.01 > Ethan Ho $$$$