Ethene, 1-ethoxy-2-(ethylthio)-, (E)- NIST 06281300493D 1 1.00000 -709.24796 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 0.1032 -0.0244 -0.0732 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2765 0.8965 -0.3532 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0750 2.1070 0.3863 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0949 3.0003 0.3432 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9689 4.2461 0.8225 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3714 5.3213 0.9390 S 0 0 0 0 0 0 0 0 0 0 0 0 3.9562 7.7679 -0.2176 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9029 6.6620 -0.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2198 -0.9622 -0.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0411 -0.2554 0.9948 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8367 0.4453 -0.3796 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3474 1.1278 -1.4255 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2238 0.4313 -0.0442 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0363 2.6394 -0.0722 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0183 4.5801 1.2328 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6847 8.5649 -0.9193 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0428 8.2095 0.7809 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9416 7.3858 -0.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8124 6.2273 -1.2445 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9221 7.0538 0.0465 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 2 0 5 6 1 0 6 8 1 0 7 8 1 0 1 9 1 0 1 10 1 0 1 11 1 0 2 12 1 0 2 13 1 0 4 14 1 0 5 15 1 0 7 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. > 2013-06-28 > 53715-47-2 > Ethene, 1-ethoxy-2-(ethylthio)-, (E)- Ether, ethyl 2-(ethylthio)vinyl, trans- trans-1-Ethoxy-2-(ethylthio)ethene > B3LYP/6-31G* > 2.4765 debye > -709.247964450 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 35.0108 0.6386 37.0192 1.3623 55.1819 1.1274 84.4083 3.2435 126.4281 0.1261 165.6323 3.8837 245.3190 0.4232 259.4713 0.3899 263.0102 1.8903 287.9796 0.7154 350.0408 0.5137 448.2182 0.4152 503.5473 6.1764 671.8360 0.5060 797.1115 3.5305 807.5473 30.9614 828.7553 0.8052 839.7350 7.6015 934.1187 3.7401 963.5035 26.6380 996.7463 5.5943 1053.4433 4.0555 1062.4570 17.6483 1084.4999 5.3308 1152.5423 43.2633 1192.5900 42.4132 1222.8741 536.5059 1265.5730 1.9917 1276.5575 0.2890 1313.9703 16.1060 1314.0285 8.5881 1355.6051 1.4149 1419.5227 39.2930 1437.9397 0.9881 1450.5457 61.9263 1514.5981 5.2821 1517.1135 5.2730 1523.0907 6.9341 1530.0552 3.9220 1534.0741 1.8514 1551.1461 15.5985 1701.6474 170.2512 3015.5626 53.2753 3053.3000 40.6831 3053.4538 30.5642 3063.3698 21.5658 3063.7203 18.3402 3106.5558 2.1630 3119.9846 27.8379 3132.4148 36.0076 3135.2607 26.4653 3141.9011 27.5861 3160.0037 13.4144 3180.8582 19.4115 > 7.41895 GHz 0.48711 GHz 0.47894 GHz > Gaussian 09, Revision D.01 > Michael Liou $$$$