NIST 07171420183D 1 1.00000 -860.54676 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 6.6726 4.2179 -1.1637 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2179 2.9575 -1.0651 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4071 2.7509 -1.2693 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2666 1.8455 -0.7257 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8187 0.6416 -0.2699 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8758 1.9470 -0.8641 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0040 -0.4345 0.0683 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0468 0.8754 -0.5362 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6206 -0.3052 -0.0654 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5824 -1.6571 0.3576 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.8267 4.4454 -0.6611 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3458 4.9666 -1.2638 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8981 0.5675 -0.1883 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4263 2.8516 -1.2636 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4309 -1.3644 0.4285 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9708 0.9497 -0.6516 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 9 10 1 0 4 5 1 0 5 7 2 0 7 9 1 0 9 8 2 0 8 6 1 0 4 6 2 0 1 11 1 0 1 12 1 0 5 13 1 0 6 14 1 0 7 15 1 0 8 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. > 2014-07-17 > 619-56-7 > B3LYP/6-31G* > 3.2099 debye > -860.546762985 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 68.9078 6.2219 88.3872 2.0770 173.3316 6.4900 256.2842 2.9065 305.7462 1.4752 314.6378 1.5998 417.1858 143.2997 422.4945 23.7133 461.1730 33.1221 491.6756 19.4907 529.0145 11.7276 566.4494 52.1753 644.5967 1.3620 654.9147 5.1833 701.9338 17.6464 770.4211 49.8231 787.0143 33.2622 843.4961 3.2377 863.5282 17.7694 963.6677 0.4010 990.4756 0.6037 1031.8663 30.1961 1100.7477 6.6230 1109.7180 62.7850 1140.8971 1.4740 1150.4026 7.2630 1212.0076 4.6925 1333.1806 2.9172 1344.7669 14.9961 1378.3185 248.9210 1442.8695 19.7275 1536.8134 23.5316 1623.9878 3.7779 1647.4299 99.6847 1651.8775 107.6206 1788.5294 261.6574 3199.8972 7.7013 3219.9774 0.5557 3225.8912 3.7731 3233.3072 1.8048 3577.4747 38.6109 3695.2783 27.1460 > 3.79757 GHz 0.54849 GHz 0.48238 GHz > Gaussian 09, Revision D.01 > Ethan Ho $$$$