NIST 07251215373D 1 1.00000 -705.00831 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 6 4 0 0 0 0 0 0 0 0999 V2000 1.5553 -0.0777 0.1272 Al 0 0 0 0 0 0 0 0 0 0 0 0 0.6340 2.1759 1.3729 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.0917 0.2712 0.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8468 0.3036 -1.2437 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8477 -1.0808 1.1413 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1523 2.0058 2.5445 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 2 6 1 0 0 0 0 M CHG 1 1 1 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 > 13595-81-8 > B3LYP/6-31G* > 2.6397 debye > -705.008307845 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 73.3773 41.0895 137.3829 17.1894 270.0085 15.6841 367.0158 7.7577 488.5914 25.8159 719.8584 471.1495 771.9365 208.7011 782.9773 207.0462 1920.5480 46.2133 1922.3519 302.7438 1933.9690 248.5778 2909.6396 33.2508 > 54.91520 GHz 3.95566 GHz 3.90470 GHz > Gaussian 09, Revision C.01 > Katherine Hafner $$$$