NIST 07251215373D 1 1.00000 -695.45088 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 1.8323 1.1472 -0.3139 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0825 -0.1972 0.3903 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4857 -1.3073 -0.5421 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7930 -2.3846 -0.9226 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4032 -2.7677 -0.4846 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3713 -4.1284 0.2329 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1254 -1.0908 -1.2145 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.5560 1.9142 0.4179 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0201 1.0616 -1.0439 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7280 1.4883 -0.8419 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1783 -0.5032 0.9273 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8684 -0.0718 1.1459 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2707 -3.0784 -1.6125 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2391 -2.8226 -1.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0365 -2.0000 0.1602 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7872 -4.9199 -0.4013 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6562 -4.4097 0.4899 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9592 -4.0992 1.1568 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 8 1 0 0 0 0 1 9 1 0 0 0 0 1 10 1 0 0 0 0 2 3 1 0 0 0 0 2 11 1 0 0 0 0 2 12 1 0 0 0 0 3 7 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 4 13 1 0 0 0 0 5 6 1 0 0 0 0 5 14 1 0 0 0 0 5 15 1 0 0 0 0 6 16 1 0 0 0 0 6 17 1 0 0 0 0 6 18 1 0 0 0 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. > 2012-07-25 > 17226-34-5 > B3LYP/6-31G* > 2.1911 debye > -695.450882860 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 47.6426 0.0871 70.4044 0.0282 138.3994 0.0786 205.3557 0.1229 222.3696 0.5225 229.9382 0.1916 295.3398 0.4282 347.3072 0.4389 417.8218 7.9858 450.0423 2.0508 570.7320 3.6229 657.3249 18.0848 787.5428 1.2592 821.1115 7.5621 880.5181 38.0367 889.0648 17.2852 939.7356 6.2482 1024.9338 6.1077 1051.5925 2.8692 1099.0750 2.3201 1101.8921 5.1136 1132.6337 6.2396 1181.5814 26.0887 1298.8959 3.9954 1309.8039 5.3039 1340.1536 9.6072 1371.2950 1.1392 1400.4436 2.2347 1436.9066 0.5684 1438.8383 2.7123 1502.1989 2.6657 1519.3613 1.0767 1526.6702 5.7535 1527.7428 5.3216 1536.5166 2.5594 1539.6264 8.0957 1731.2538 18.0532 3027.2416 26.8346 3049.6682 34.9819 3053.6082 13.1377 3058.0175 29.4641 3090.3502 8.4195 3101.8790 5.5256 3119.2848 43.5928 3124.3218 35.3256 3125.3818 35.4279 3139.5455 27.9209 3171.7096 9.7089 > 2.81611 GHz 1.21864 GHz 0.91863 GHz > Gaussian 09, Revision C.01 > Katherine Hafner $$$$