NIST 06181405013D 1 1.00000 -1282.73071 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 16 16 0 0 0 0 0 0 0 0999 V2000 6.3023 1.8489 -0.6704 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8445 0.6067 -0.3067 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9260 2.0189 -0.7561 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9735 -0.4553 -0.0087 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3232 0.4394 -0.2298 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5934 -0.2847 -0.0799 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0771 0.9476 -0.4602 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7505 1.1091 -0.5353 F 0 0 0 0 0 0 0 0 0 0 0 0 4.2426 3.5527 -1.2285 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.7676 -0.8148 -0.4855 N 0 0 0 0 0 0 0 0 0 0 0 0 9.3691 1.6710 0.1801 S 0 0 0 0 0 0 0 0 0 0 0 0 6.9673 2.6776 -0.8847 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3690 -1.4089 0.3265 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9060 -1.0876 0.1648 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7670 -0.9707 -0.4832 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1878 -1.4870 -0.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 3 9 1 0 5 10 1 0 5 11 2 0 7 8 1 0 1 2 1 0 2 4 2 0 4 6 1 0 6 7 2 0 7 3 1 0 1 3 2 0 1 12 1 0 4 13 1 0 6 14 1 0 10 15 1 0 10 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. > 2014-06-18 > 130560-97-3 > B3LYP/6-31G* > 5.0878 debye > -1282.73070946 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 52.5524 4.2096 99.6639 2.1324 146.0809 1.2880 171.1399 1.1775 240.2621 1.5338 283.7073 3.6119 310.3903 5.2413 360.7170 1.0967 405.6283 197.2402 446.2485 3.6751 455.1478 5.8821 491.6743 8.5104 514.4444 11.9357 565.5467 1.4153 618.6513 25.5397 658.0576 4.8912 668.6072 3.9726 716.5283 3.4664 742.5443 36.1549 838.4319 28.3902 861.2279 3.0867 925.2991 20.0932 945.2954 34.2620 956.3481 2.6249 1081.2693 22.3596 1145.5674 11.2359 1179.6098 25.0397 1274.5616 0.5293 1315.1112 99.9787 1321.5982 86.2036 1359.4289 124.1941 1382.7948 103.9837 1441.1319 61.7795 1544.3489 94.8638 1622.7788 21.8300 1651.3595 39.5458 1661.2091 173.1018 3208.3521 3.4658 3228.7945 2.6922 3239.7503 3.5854 3564.6673 50.3277 3687.4906 36.8282 > 1.49559 GHz 0.48355 GHz 0.37433 GHz > Gaussian 09, Revision D.01 > Ethan Ho $$$$