NIST 07251211073D 1 1.00000 -1105.35932 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 12 11 0 0 0 0 0 0 0 0999 V2000 52.9919 49.9732 -0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 51.3052 48.8369 -0.0001 Re 0 0 0 0 0 0 0 0 0 0 0 0 49.4970 47.9058 -0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 51.2439 48.9404 2.0301 C 0 0 0 0 0 0 0 0 0 0 0 0 51.2452 48.9379 -2.0304 C 0 0 0 0 0 0 0 0 0 0 0 0 52.3036 47.1491 0.0013 C 0 0 0 0 0 0 0 0 0 0 0 0 50.0216 51.0110 -0.0019 Cl 0 0 0 0 0 0 0 0 0 0 0 0 53.9232 50.6380 -0.0004 O 0 0 0 0 0 0 0 0 0 0 0 0 48.4662 47.4091 -0.0001 O 0 0 0 0 0 0 0 0 0 0 0 0 51.1946 49.0250 3.1702 O 0 0 0 0 0 0 0 0 0 0 0 0 51.1967 49.0211 -3.1707 O 0 0 0 0 0 0 0 0 0 0 0 0 52.8927 46.1544 0.0021 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 8 3 0 2 3 1 0 2 4 1 0 2 5 1 0 2 6 1 0 2 7 1 0 3 9 3 0 4 10 3 0 5 11 3 0 6 12 3 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 > 14099-01-5 > B3LYP/GENECP > 3.3336 debye > -1105.35931658 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 61.0484 0.0000 77.5351 0.0715 77.6463 0.0726 89.2347 0.0367 89.3141 0.0340 91.7763 0.1255 94.5159 0.0000 106.1017 0.6895 106.1234 0.6916 294.8060 18.8750 360.6033 63.6915 360.6709 63.7292 364.8779 0.0585 417.6849 0.0000 417.7299 0.0002 428.7692 0.0004 441.8106 2.7584 478.1451 3.4587 507.2385 0.0007 544.6787 0.0001 562.6869 0.0050 562.7489 0.0078 605.5894 71.3411 605.6435 71.3281 616.1832 104.7662 2069.2898 938.3977 2120.6899 1537.6982 2120.7448 1537.5003 2150.4603 0.0519 2217.8170 11.8996 > 0.60097 GHz 0.59786 GHz 0.59784 GHz > Gaussian 09, Revision C.01 > Daniel Du $$$$