NIST 06211421573D 1 1.00000 -823.39711 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 6.2908 1.8236 -0.8061 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8442 0.5964 -0.4311 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9101 2.0236 -0.7738 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0799 0.9845 -0.3601 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3400 1.2279 -0.3176 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.6095 -0.2495 0.0166 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9898 -0.4348 -0.0238 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3498 0.3527 -0.4141 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1244 1.2890 -1.2338 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7327 2.0400 -1.8762 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9369 2.6319 -1.1363 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4846 2.9765 -1.0697 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9515 -1.0526 0.3307 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4024 -1.3984 0.2662 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7313 0.4151 0.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5696 -0.6654 -0.7584 H 0 0 0 0 0 0 0 0 0 0 0 0 2 8 1 0 4 5 1 0 8 9 1 0 9 10 3 0 1 2 1 0 2 7 2 0 7 6 1 0 6 4 2 0 4 3 1 0 1 3 2 0 1 11 1 0 3 12 1 0 6 13 1 0 7 14 1 0 8 15 1 0 8 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. > 2014-06-21 > 140-53-4 > B3LYP/6-31G* > 3.2096 debye > -823.397107635 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 15.1938 6.2376 97.1965 4.0691 127.1514 2.9478 244.8931 0.7786 294.4624 1.3874 352.4166 4.3673 363.1698 3.9135 369.6421 0.9399 418.7962 0.0664 493.5538 11.6636 525.5230 5.0047 646.5492 0.1341 679.5948 8.6517 708.5902 1.8617 812.5024 23.4244 827.0994 22.2650 843.7474 0.9513 944.9468 5.0063 961.4138 1.9951 965.6605 0.4256 983.5055 2.2622 1033.3589 29.8924 1113.5444 52.5905 1144.6432 3.8841 1211.6293 2.9669 1219.2154 0.1034 1249.5675 2.7884 1314.1313 3.2737 1338.1844 0.8437 1370.3539 3.4013 1455.4250 8.6885 1489.8036 8.0279 1542.0889 66.6251 1632.5946 2.1959 1657.5594 4.5442 2373.3270 6.6053 3039.3924 5.1648 3080.7886 2.4545 3185.0383 10.5045 3205.9774 1.6171 3226.9516 3.6640 3228.5392 0.9551 > 3.76823 GHz 0.52093 GHz 0.46156 GHz > Gaussian 09, Revision D.01 > Ethan Ho $$$$