NIST 07251211083D 1 1.00000 -1966.64747 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 6.8810 1.6824 -0.2666 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7111 2.0019 -1.0467 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5259 1.3419 -0.9478 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2171 0.1439 -0.1572 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9567 -0.9401 0.0838 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2529 0.4896 0.1734 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2831 0.2081 0.9807 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7111 -0.4607 0.1965 P 0 0 0 0 0 0 0 0 0 0 0 0 10.9937 -0.8922 1.5345 S 0 0 0 0 0 0 0 0 0 0 0 0 5.7306 -3.5902 -1.6106 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.5508 -1.0899 -0.6106 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.5451 2.4993 0.0263 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7790 2.8814 -1.6791 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6864 1.7564 -1.5027 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2037 0.0797 0.2385 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6676 -1.8251 0.6406 H 0 0 0 0 0 0 0 0 0 0 0 0 6 7 1 0 7 8 1 0 8 9 2 0 8 10 1 0 8 11 1 0 1 6 2 0 6 5 1 0 5 4 2 0 4 3 1 0 3 2 2 0 1 2 1 0 1 12 1 0 2 13 1 0 3 14 1 0 4 15 1 0 5 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. > 2012-07-25 > 18961-96-1 > B3LYP/6-31G* > -1966.64746612 hartree > 10.0500 debye > 0.7747554 GHz 0.3924191 GHz 0.2782678 GHz > Gaussian 09, Revision C.01 > Daniel Du $$$$