NIST 06251409113D 1 1.00000 -3294.86521 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 21 23 0 0 0 0 0 0 0 0999 V2000 -2.8660 -1.4031 1.1453 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3913 -0.3143 -0.2558 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5606 -1.2381 0.7999 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5223 -1.9137 1.4286 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7668 -1.6611 0.9860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9847 -0.7542 -0.0577 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0675 -0.0727 -0.6915 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5840 -0.5909 0.3247 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7615 0.1254 -0.5779 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4441 0.9911 -1.4615 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8319 1.0938 -1.4043 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5935 0.3588 -0.4898 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9720 -0.5117 0.4063 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6439 -0.5024 -0.5456 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.3144 1.0282 -1.9759 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.8365 -3.0325 2.7218 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -5.8303 -1.4618 1.5722 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -7.3229 0.5553 -0.4968 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.6765 1.9876 -2.6702 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.6091 -2.1641 1.4448 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3381 1.7630 -2.0888 H 0 0 0 0 0 0 0 0 0 0 0 0 6 14 1 0 7 15 1 0 4 16 1 0 13 17 1 0 12 18 1 0 10 19 1 0 6 5 2 0 5 4 1 0 4 3 2 0 3 1 1 0 1 8 1 0 8 13 2 0 13 12 1 0 12 11 2 0 11 10 1 0 10 9 2 0 8 9 1 0 9 2 1 0 3 2 1 0 2 7 2 0 6 7 1 0 5 20 1 0 11 21 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. > 2014-06-25 > R49021 > B3LYP/6-31G* > 0.1390 debye > -3294.86521320 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 19.9274 0.0246 46.5141 0.0073 62.2734 0.0136 99.7231 0.1373 109.8172 0.1189 147.3509 0.0009 168.0666 0.0635 171.2442 0.0859 185.4202 0.9171 201.7206 0.0663 211.9580 0.3047 237.2132 0.0109 275.4882 0.0276 288.2180 0.4076 307.8726 0.0011 331.5378 0.1751 350.1749 0.0776 372.9205 0.4382 398.8064 0.0187 417.3536 8.4934 462.9448 2.3342 527.9319 9.1663 544.5544 1.2489 570.3272 0.0857 577.2358 2.9251 587.9248 39.1210 614.7158 0.7934 627.8112 0.1023 682.0820 0.2922 721.5341 2.8006 734.2453 14.9600 747.5309 0.0409 771.6187 13.1393 826.1288 82.6222 866.1662 14.9726 874.7202 17.4402 928.5335 53.2030 976.5943 7.0661 987.5367 71.6309 1102.6193 91.8240 1173.9223 131.9924 1198.8856 17.0796 1242.8955 56.7147 1260.6590 19.3636 1295.5157 34.1828 1334.6592 16.2000 1350.1404 2.5156 1378.4414 117.8730 1396.8645 53.1506 1466.1619 107.0297 1492.2704 83.9816 1578.6572 22.3845 1601.9044 12.8383 1618.8507 44.2671 1651.5511 28.7183 3246.6222 0.9415 3246.7958 3.2322 > 0.32017 GHz 0.15602 GHz 0.10490 GHz > Gaussian 09, Revision D.01 > Sonia Dermer $$$$