Propanoic acid, 2-(2,4,5-trichlorophenoxy)- NIST 06201314153D 1 1.00000 -1953.42592 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 22 22 0 0 0 0 0 0 0 0999 V2000 6.3159 4.3531 -0.5306 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8713 3.0438 -0.6910 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1341 1.9407 -0.4131 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4824 5.2917 -0.2017 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5662 4.8061 -1.7771 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7905 0.6987 -0.5276 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7901 1.9472 -0.0302 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3123 4.7621 0.7162 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6132 6.3997 -0.6684 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4667 0.6443 -1.0120 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.1195 -0.4855 -0.2562 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1164 0.7542 0.2462 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7781 -0.4705 0.1351 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4384 0.8470 0.7207 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.9819 -1.9883 0.4661 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.6630 4.3675 0.3537 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1884 5.8221 -1.6393 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7257 4.1380 -1.9847 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2384 4.8040 -2.6392 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2387 2.8745 0.0525 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0044 5.4312 0.8779 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6418 -1.4306 -0.3457 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 4 1 0 1 5 1 0 2 3 1 0 4 8 1 0 4 9 2 0 6 10 1 0 12 14 1 0 13 15 1 0 3 6 1 0 6 11 2 0 11 13 1 0 13 12 2 0 12 7 1 0 3 7 2 0 1 16 1 0 5 17 1 0 5 18 1 0 5 19 1 0 7 20 1 0 8 21 1 0 11 22 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 > 93-72-1 > Propanoic acid, 2-(2,4,5-trichlorophenoxy)- Propionic acid, 2-(2,4,5-trichlorophenoxy)- (±)-2-(2,4,5-Trichlorophenoxy)propionic acid (±)-Fenoprop > B3LYP/6-31G* > 1.6676 debye > -1953.42591872 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 22.5979 0.9740 26.4254 0.7153 48.2027 0.5007 73.9946 0.1758 92.8214 0.3434 144.6591 0.3984 172.5505 0.7535 193.8342 0.1218 207.7175 0.1104 222.8144 0.7072 242.0309 0.2518 269.8371 0.5824 301.6010 1.8069 335.1349 0.0920 361.8636 0.3456 403.1439 0.1113 443.0091 5.1034 455.5133 3.3623 485.0235 15.0539 531.7866 20.0253 545.5412 11.7697 615.8834 32.6826 627.2942 0.8075 640.3248 46.3322 689.8331 27.4800 690.5226 18.1703 728.0051 71.2854 774.7730 52.2430 836.8060 9.8233 851.3788 5.4459 888.5372 22.6561 903.3037 11.5894 976.5630 19.7627 1073.4176 11.5211 1093.2067 95.8702 1128.7712 76.9975 1141.4429 81.6203 1162.9156 98.0871 1204.9690 171.8199 1282.6649 48.7907 1292.4688 107.3215 1332.9380 39.8347 1344.1913 13.7981 1367.2140 64.9642 1390.1596 86.3201 1425.9508 30.7941 1439.3607 26.4432 1514.4612 29.3404 1516.7105 259.0499 1523.1140 28.4345 1598.0149 2.4795 1633.4310 57.3264 1851.5833 287.6080 3035.2814 17.8025 3079.3570 6.4953 3153.4931 14.8277 3162.6325 9.0356 3240.3629 0.3408 3249.1547 2.5235 3685.2565 65.2088 > 0.66720 GHz 0.23444 GHz 0.18440 GHz > Gaussian 09, Revision D.01 > Michael Liou $$$$