Ethanol, 2-(2-chloroethoxy)- NIST 11121313213D 1 1.00000 -768.46287 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 16 15 0 0 0 0 0 0 0 0999 V2000 69.0310 9.8925 -0.0357 C 0 0 0 0 0 0 0 0 0 0 0 0 67.9114 9.0263 -0.0552 O 0 0 0 0 0 0 0 0 0 0 0 0 68.2035 7.7252 -0.5562 C 0 0 0 0 0 0 0 0 0 0 0 0 68.5421 11.2232 0.5181 C 0 0 0 0 0 0 0 0 0 0 0 0 66.9427 6.8948 -0.3764 C 0 0 0 0 0 0 0 0 0 0 0 0 69.9032 12.4144 0.5820 Cl 0 0 0 0 0 0 0 0 0 0 0 0 66.5760 6.7992 0.9885 O 0 0 0 0 0 0 0 0 0 0 0 0 69.8339 9.4867 0.5986 H 0 0 0 0 0 0 0 0 0 0 0 0 69.4385 10.0310 -1.0488 H 0 0 0 0 0 0 0 0 0 0 0 0 68.4968 7.7755 -1.6175 H 0 0 0 0 0 0 0 0 0 0 0 0 69.0331 7.2787 0.0139 H 0 0 0 0 0 0 0 0 0 0 0 0 67.7632 11.6483 -0.1164 H 0 0 0 0 0 0 0 0 0 0 0 0 68.1598 11.1085 1.5336 H 0 0 0 0 0 0 0 0 0 0 0 0 66.1335 7.3335 -0.9826 H 0 0 0 0 0 0 0 0 0 0 0 0 67.1176 5.8748 -0.7337 H 0 0 0 0 0 0 0 0 0 0 0 0 66.5530 7.7128 1.3177 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 4 1 0 2 3 1 0 3 5 1 0 4 6 1 0 5 7 1 0 1 8 1 0 1 9 1 0 3 10 1 0 3 11 1 0 4 12 1 0 4 13 1 0 5 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. > 2013-11-12 > 628-89-7 > Ethanol, 2-(2-chloroethoxy)- 2-(2-Chloroethoxy)ethanol 2-(2-Hydroxyethoxy)ethyl chloride 2-(2'-Chloroethoxy)ethanol > B3LYP/6-31G* > 1.2985 debye > -768.462868343 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 49.3382 1.7595 68.0447 1.4102 109.9552 2.2822 138.6943 1.7309 178.7645 11.3518 258.5832 4.1147 358.7510 12.2289 387.9766 5.7727 444.5411 141.4426 554.0587 4.0517 755.9244 44.0145 813.3851 0.6133 880.0828 25.2208 915.7174 12.0473 1046.7331 13.9567 1076.0460 3.6975 1082.8563 56.6568 1099.6954 67.5130 1145.4628 3.6247 1158.1466 221.5816 1227.3732 0.6249 1246.6511 19.3822 1278.2327 17.1552 1303.9832 24.6069 1314.7400 1.4357 1401.9967 27.2612 1403.7756 11.9292 1448.3748 53.9394 1465.2558 9.8410 1521.6343 3.0681 1528.9000 3.1689 1533.2752 10.8881 1559.1331 1.5276 2995.7661 28.4655 3002.9830 37.7224 3010.8683 43.2946 3040.5705 99.9030 3046.5399 21.0935 3107.7173 36.9531 3116.8100 16.2730 3179.2447 8.9373 3729.1112 23.2855 > 8.28471 GHz 0.64621 GHz 0.62015 GHz > Gaussian 09, Revision D.01 > Katherine Hafner $$$$