NIST 07221405103D 1 1.00000 -332.10440 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 24 42 0 0 0 0 0 0 0 0999 V2000 0.7187 -1.3110 -0.7305 B 0 0 0 0 0 0 0 0 0 0 0 0 -0.9412 -1.1436 -0.1122 B 0 0 0 0 0 0 0 0 0 0 0 0 1.6375 -0.2800 0.2954 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2110 -2.3341 -1.0618 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4074 -0.2189 -1.5384 B 0 0 0 0 0 0 0 0 0 0 0 0 1.2751 0.2946 -1.2604 B 0 0 0 0 0 0 0 0 0 0 0 0 0.3870 -1.0914 0.9433 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9113 -0.0577 1.3055 B 0 0 0 0 0 0 0 0 0 0 0 0 -1.6257 -2.1106 -0.0964 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4222 0.5614 -0.2822 B 0 0 0 0 0 0 0 0 0 0 0 0 0.7687 0.4592 1.5833 B 0 0 0 0 0 0 0 0 0 0 0 0 -1.5756 -0.3122 2.2531 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3579 1.5485 0.7713 B 0 0 0 0 0 0 0 0 0 0 0 0 1.2915 0.5005 2.6434 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3059 1.3792 0.1577 B 0 0 0 0 0 0 0 0 0 0 0 0 2.6251 -0.6433 0.5519 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7189 2.5399 1.3153 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0486 1.4512 -0.9922 B 0 0 0 0 0 0 0 0 0 0 0 0 2.2050 2.1383 0.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1537 0.3411 -2.0541 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8045 -0.4763 -2.6271 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5547 0.8559 -0.4831 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6417 -1.9299 1.5799 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1898 2.3892 -1.7066 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 2 9 1 0 0 0 0 2 8 1 0 0 0 0 2 7 1 0 0 0 0 2 1 1 0 0 0 0 3 16 1 0 0 0 0 3 6 1 0 0 0 0 3 15 1 0 0 0 0 3 11 1 0 0 0 0 3 7 1 0 0 0 0 3 1 1 0 0 0 0 5 21 1 0 0 0 0 5 2 1 0 0 0 0 5 1 1 0 0 0 0 6 20 1 0 0 0 0 6 18 1 0 0 0 0 6 5 1 0 0 0 0 6 15 1 0 0 0 0 6 1 1 0 0 0 0 7 23 1 0 0 0 0 7 1 1 0 0 0 0 8 12 1 0 0 0 0 8 13 1 0 0 0 0 8 11 1 0 0 0 0 8 7 1 0 0 0 0 10 22 1 0 0 0 0 10 5 1 0 0 0 0 10 2 1 0 0 0 0 10 8 1 0 0 0 0 10 13 1 0 0 0 0 11 14 1 0 0 0 0 11 7 1 0 0 0 0 13 17 1 0 0 0 0 13 15 1 0 0 0 0 13 11 1 0 0 0 0 15 19 1 0 0 0 0 15 11 1 0 0 0 0 18 24 1 0 0 0 0 18 10 1 0 0 0 0 18 5 1 0 0 0 0 18 13 1 0 0 0 0 18 15 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. > 2014-07-22 > 16872-09-6 > B3LYP/6-31G* > 4.2824 debye > -332.104396472 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 453.1282 0.0001 461.8016 0.0419 512.9239 0.0296 520.2298 0.0704 542.7632 0.0008 566.9513 0.0380 572.6127 0.0028 582.7528 0.0006 591.1925 0.4598 599.2936 0.0080 632.4311 0.2045 663.8742 0.0974 670.0555 0.0692 686.1738 0.0020 720.4106 11.2203 726.1880 10.7480 728.4880 2.3794 729.9519 9.9750 747.2244 0.1776 749.2378 0.1969 752.0756 0.0597 756.8432 0.6623 765.9934 0.4399 773.4266 0.0026 778.5905 0.0256 779.3891 0.0043 783.5620 0.5277 793.6166 2.3428 799.5789 0.5254 809.2067 1.0091 880.3183 0.0821 898.5014 0.0008 904.9504 0.3012 924.2042 0.0117 934.3487 0.0039 937.1729 0.1837 941.5176 1.9736 946.9047 1.1352 947.2592 0.0417 951.0314 0.0961 957.4601 0.0344 958.7193 0.0970 960.8829 0.0091 961.8116 0.1230 963.3794 0.5496 986.2731 0.5685 1010.3732 10.5868 1016.5143 1.1878 1041.9160 15.3131 1070.2036 20.0202 1111.6784 0.0000 1174.8876 9.2277 1182.1210 3.9085 1253.7571 1.4336 2698.8483 26.8933 2700.2564 15.5819 2705.3601 69.2063 2709.9783 125.5760 2722.0795 9.6000 2722.9163 57.8697 2729.0436 207.0826 2730.6173 21.2408 2747.9011 123.3905 2750.2493 36.1052 3237.1715 1.3733 3241.3195 3.5528 > 1.62993 GHz 1.61184 GHz 1.59029 GHz > Gaussian 09, Revision D.01 > Ethan Ho $$$$