NIST 08031215023D 1 1.00000 -496.59589 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 22 23 0 0 0 0 0 0 0 0999 V2000 5.8062 1.7597 -0.6076 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8727 2.3410 -1.8819 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6108 1.0705 -0.2053 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8977 1.8003 0.2454 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5687 0.4708 1.0966 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4794 0.9761 -1.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8417 1.2038 1.5198 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3734 -0.2183 1.4989 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7002 0.5653 1.9502 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3379 0.3376 -0.6285 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3069 -0.7997 2.7732 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2819 -0.2589 0.6459 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0181 2.7971 -2.1791 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6611 2.9679 -1.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8002 2.3216 -0.0672 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5226 1.3721 -2.0681 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7046 1.2769 2.1766 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6570 0.1692 2.9593 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4750 0.2644 -1.2853 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1615 -1.2558 3.0704 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5185 -1.4266 2.8853 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3794 -0.7803 0.9585 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 8 11 1 0 10 12 2 0 12 8 1 0 8 5 2 0 5 9 1 0 9 7 2 0 7 4 1 0 4 1 2 0 1 3 1 0 5 3 1 0 3 6 2 0 10 6 1 0 2 13 1 0 2 14 1 0 4 15 1 0 6 16 1 0 7 17 1 0 9 18 1 0 10 19 1 0 11 20 1 0 11 21 1 0 12 22 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. > 2012-08-03 > 2243-62-1 > B3LYP/6-31G* > 0.0000 debye > -496.595894580 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 98.0041 2.5247 171.5031 3.8540 209.9805 0.0000 258.9363 8.7918 287.9538 14.0335 309.9741 0.0000 342.1852 54.1152 370.5835 0.0000 467.6360 0.0000 475.4171 0.0000 512.3020 0.0000 517.9802 0.0000 520.0277 1.3787 548.5030 2.9623 598.9910 3.2641 642.5328 339.8424 657.7225 0.0000 700.8433 0.0000 717.2569 345.9918 729.4584 0.0000 778.9572 101.8235 799.3266 19.4840 827.0635 0.0000 859.8263 0.0000 862.5669 30.0668 879.9708 0.0000 942.3052 0.9791 948.9901 0.0000 954.2304 10.5137 1075.9806 0.0000 1104.5219 8.9257 1143.5235 10.1852 1155.6469 0.0000 1202.5529 0.0000 1212.1111 4.3862 1241.0742 0.0000 1256.1077 6.4512 1312.7722 0.0000 1328.9330 53.2296 1411.1876 0.0000 1412.9990 14.7014 1471.2269 122.9374 1488.7944 0.0000 1512.9145 0.0000 1577.4196 103.1480 1637.4967 0.0000 1649.4456 27.5390 1674.7456 0.0000 1697.0805 208.2267 1700.9317 0.0000 3169.8400 39.9838 3170.3962 0.0000 3190.8989 0.0001 3191.0878 39.9160 3212.1412 43.9042 3212.8068 0.0000 3538.8531 9.7117 3538.9322 0.0000 3632.5465 15.2142 3632.5769 0.0015 > 1.54713 GHz 0.91404 GHz 0.57553 GHz > Gaussian 09, Revision C.01 > Alexander Yang $$$$