Thiazolidine, 2-(2-methylpropyl)- NIST 11121313213D 1 1.00000 -728.72037 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 -4.8592 -1.5389 -0.7775 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1105 -0.6653 0.2523 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2429 -1.7179 -0.3351 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.3480 0.5699 0.8259 S 0 0 0 0 0 0 0 0 0 0 0 0 -6.7868 -0.4331 0.0676 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4230 0.3387 -1.0938 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6673 -0.3392 -1.7052 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8522 -0.3883 -0.7278 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0726 0.3759 -3.0031 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8601 -1.0398 -1.7519 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3855 -2.5180 -0.9049 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7569 -1.2630 1.0994 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2536 -0.1507 -0.1915 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2459 -2.3448 0.4677 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5182 -0.5897 0.8633 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6860 1.3445 -0.7386 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6662 0.4844 -1.8749 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3856 -1.3707 -1.9551 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7232 -0.8625 -1.1956 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6213 -0.9578 0.1796 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1508 0.6230 -0.4208 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9359 -0.1121 -3.4711 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2530 0.3774 -3.7317 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3476 1.4213 -2.8096 H 0 0 0 0 0 0 0 0 0 0 0 0 5 6 1 0 6 7 1 0 7 8 1 0 7 9 1 0 2 4 1 0 4 5 1 0 5 3 1 0 3 1 1 0 2 1 1 0 1 10 1 0 1 11 1 0 2 12 1 0 2 13 1 0 3 14 1 0 5 15 1 0 6 16 1 0 6 17 1 0 7 18 1 0 8 19 1 0 8 20 1 0 8 21 1 0 9 22 1 0 9 23 1 0 9 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. > 2013-11-12 > 696-70-8 > Thiazolidine, 2-(2-methylpropyl)- Thiazolidine, 2-isobutyl- 2-Isobutylthiazolidine > B3LYP/6-31G* > 1.9163 debye > -728.720374214 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 35.7609 0.2087 74.7523 1.1006 115.2683 1.1949 153.2872 1.0624 221.4042 0.2168 234.8373 0.1286 256.7107 2.0736 275.6306 1.2391 355.3142 0.5995 407.7636 1.6121 431.2799 4.6384 461.3267 7.6528 517.2415 3.4070 573.6123 8.8893 696.3552 2.1405 725.9252 38.3343 819.9953 80.9116 838.7704 20.9846 862.4214 25.1739 892.9873 9.6510 936.8052 5.3275 939.5279 5.5110 951.2652 2.2387 965.3029 5.6704 976.6150 0.0852 1030.2289 0.1723 1054.1720 2.7296 1134.9129 12.3596 1139.3985 5.7106 1173.5044 9.5565 1182.9951 32.0826 1202.8488 6.6976 1222.5266 5.6732 1244.4677 6.8616 1288.9584 11.8001 1309.6500 2.0969 1338.3220 1.4219 1373.6291 3.9685 1390.7216 3.3614 1396.1058 3.0483 1429.8468 7.4369 1431.4342 6.2459 1450.1415 2.4295 1504.3435 2.8868 1506.4357 2.0994 1518.2939 2.2530 1520.4985 2.2578 1525.4098 3.4172 1530.8556 2.1086 1535.9223 2.3071 1540.9127 11.1532 3034.2163 28.0719 3038.0962 21.6108 3040.9765 7.0036 3050.1406 17.0901 3067.2884 32.0664 3073.8812 13.5946 3080.9889 27.4565 3096.5300 5.1061 3104.9478 64.1034 3106.5422 26.8272 3109.6066 79.4243 3116.0914 13.2420 3121.7661 29.5219 3131.4823 23.2128 3489.6301 0.1848 > 2.61144 GHz 0.72133 GHz 0.67974 GHz > Gaussian 09, Revision D.01 > Katherine Hafner $$$$