NIST 07081514343D 1 1.00000 -985.25284 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 7 6 0 0 0 0 0 0 0 0999 V2000 0.9555 0.0112 -0.0993 B 0 0 0 0 0 0 0 0 0 0 0 0 0.0643 1.1991 -1.0600 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0185 -1.1203 0.8840 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.5170 -0.0022 -0.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8630 0.7415 0.6464 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9398 0.2942 -1.0535 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9306 -0.9690 0.2133 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 3 1 0 0 0 0 1 2 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 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. > 2015-07-08 > 7318-78-7 > B3LYP/6-31G* > 1.6408 debye > -985.252840163 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 22.8858 0.2338 276.9653 1.8242 288.3516 0.0377 396.7051 1.7673 538.7150 12.5856 787.0530 122.2696 863.2595 22.7453 1035.9657 283.1091 1095.5101 130.6589 1378.8165 64.4590 1482.0094 0.7731 1495.2612 5.9540 3034.3375 1.0314 3104.7832 5.0096 3146.5436 7.8647 > 5.96265 GHz 3.09423 GHz 2.06290 GHz > Gaussian 09, Revision D.01 > Ashley Zhang $$$$