Phosphoric acid, 2,2-dichloroethenyl dimethyl ester NIST 06201314163D 1 1.00000 -1719.31220 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 18 17 0 0 0 0 0 0 0 0999 V2000 1.9662 1.4396 -0.2604 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3554 1.1857 -0.3579 P 0 0 0 0 0 0 0 0 0 0 0 0 -0.1982 2.6752 -0.5346 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2396 0.6055 -1.8397 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2052 0.3800 0.7481 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7587 0.5570 0.4307 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3444 3.5173 0.6291 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0359 0.1094 -2.3013 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0896 0.6187 0.3421 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0841 -0.4801 1.2564 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.9230 1.7694 -0.6501 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.2536 -0.1645 1.0636 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8901 4.4007 0.2958 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9058 2.9973 1.4096 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6413 3.8096 1.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8365 -0.4006 -3.2442 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4589 -0.5907 -1.5761 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7231 0.9440 -2.4681 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 6 1 0 2 3 1 0 2 4 1 0 2 5 2 0 3 7 1 0 4 8 1 0 6 9 2 0 9 10 1 0 9 11 1 0 6 12 1 0 7 13 1 0 7 14 1 0 7 15 1 0 8 16 1 0 8 17 1 0 8 18 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. > 2013-06-20 > 62-73-7 > Phosphoric acid, 2,2-dichloroethenyl dimethyl ester Phosphoric acid, 2,2-dichlorovinyl dimethyl ester Ethenol, 2,2-dichloro-, dimethyl phosphate 2,2-Dichloroethenyl dimethyl phosphate > B3LYP/6-31G* > 3.1371 debye > -1719.31220001 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 22.8667 1.2081 28.4487 0.1220 49.4198 4.0201 66.4686 4.5549 103.1585 3.9184 114.8591 0.2719 124.7935 1.2599 179.0212 6.7203 181.7159 2.5985 203.8604 5.3965 244.8169 3.2416 272.7208 1.9949 336.0364 8.0350 346.3396 12.6577 379.0849 12.2619 463.0702 4.4469 468.3960 5.4196 488.8754 43.5636 524.7480 86.0578 664.6082 3.4186 764.8832 76.0838 845.7861 221.2859 859.3803 92.6225 868.8036 36.6748 975.5786 253.4632 1072.5248 538.1991 1084.5138 415.6480 1182.0433 324.0664 1186.8423 1.6065 1187.5030 28.7841 1211.4999 2.3918 1212.2236 30.1073 1296.2189 181.8653 1345.6551 1.6215 1496.2821 0.5975 1499.4320 0.7014 1522.7660 4.8839 1523.6565 5.9147 1530.5961 8.6775 1531.4860 9.5359 1723.9704 44.9958 3070.4468 50.1223 3071.1336 20.6357 3150.8429 15.8174 3151.2685 16.3697 3179.4419 14.7228 3180.7272 13.0362 3236.8594 25.5915 > 1.19949 GHz 0.34288 GHz 0.32964 GHz > Gaussian 09, Revision D.01 > Michael Liou $$$$