NIST 07061512083D 1 1.00000 -556.97335 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 26 27 0 0 0 0 0 0 0 0999 V2000 2.4367 3.0941 -0.0924 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3312 1.9963 -0.1521 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8864 0.6999 0.1017 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0992 2.9172 0.2126 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6110 1.6228 0.4717 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5266 0.5398 0.4083 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8199 -0.6074 0.7007 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5066 -0.2822 0.9433 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6717 1.0701 0.8132 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6153 2.3365 -0.4892 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6457 1.3391 -0.5468 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7394 1.9256 -1.4332 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1499 0.9982 0.8571 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8400 4.0801 -0.2998 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5498 -0.1566 0.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4329 3.7753 0.2503 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2044 -1.5384 0.7293 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2217 -1.0545 1.1899 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5980 1.6127 0.9451 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2436 0.4385 -1.0319 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5659 1.2150 -1.5427 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3446 2.1591 -2.4267 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1318 2.8490 -0.9933 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9274 0.2269 0.8094 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3410 0.6311 1.4957 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5765 1.8907 1.3279 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 4 2 0 0 0 0 1 14 1 0 0 0 0 2 10 1 0 0 0 0 2 3 2 0 0 0 0 3 6 1 0 0 0 0 3 15 1 0 0 0 0 4 16 1 0 0 0 0 5 4 1 0 0 0 0 6 7 1 0 0 0 0 6 5 2 0 0 0 0 7 8 1 0 0 0 0 7 17 1 0 0 0 0 8 9 2 0 0 0 0 8 18 1 0 0 0 0 9 5 1 0 0 0 0 9 19 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 20 1 0 0 0 0 12 21 1 0 0 0 0 12 22 1 0 0 0 0 12 23 1 0 0 0 0 13 24 1 0 0 0 0 13 25 1 0 0 0 0 13 26 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. > 2015-07-06 > R135221 > B3LYP/6-31G* > 2.9694 debye > -556.973354986 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 44.5087 0.3101 73.0659 0.1623 130.4088 0.4148 157.4518 0.8043 214.9851 0.1353 237.9341 2.5512 247.6486 0.0940 288.3916 1.3123 313.5224 29.2883 338.3705 20.0004 386.4748 41.3617 403.7395 2.5883 438.8729 4.1349 447.7583 1.7360 496.0551 1.3379 560.6481 2.4672 613.8747 3.6701 614.7449 2.7924 638.7527 2.0965 714.6590 42.2509 761.5867 1.7744 765.2809 4.3986 813.0162 7.3185 816.0520 16.0961 822.6328 24.9899 844.3645 17.4698 857.3527 3.4625 913.1659 10.5507 944.4641 0.2931 945.3758 1.7948 949.2831 5.6317 964.8300 3.1672 1005.7844 47.0006 1096.0915 10.2336 1110.2659 26.1580 1151.2444 16.9320 1160.2012 31.7677 1169.3465 46.3343 1200.4081 73.6375 1218.4988 89.6066 1240.8277 79.8988 1287.1983 74.4737 1332.9882 143.8888 1362.0493 8.2478 1386.3551 8.7830 1389.1531 12.7446 1401.2125 6.9430 1430.9644 15.4736 1443.3966 4.3307 1448.2255 34.7763 1506.2323 46.4158 1511.0148 1.6906 1518.8818 1.6935 1524.6204 3.9406 1540.5276 10.9211 1549.4467 33.6131 1570.1471 47.4337 1628.8811 6.0954 1683.5878 120.1079 3027.2060 24.3048 3054.6108 14.3638 3059.8948 24.1870 3121.6778 5.0260 3130.6763 47.1363 3136.7075 17.7671 3137.9181 33.9804 3188.9854 14.1514 3216.2386 11.9796 3219.4317 12.2481 3256.5837 3.7673 3278.6132 6.7115 3669.4048 47.6663 > 2.04512 GHz 0.43305 GHz 0.37710 GHz > Gaussian 09, Revision D.01 > Avi Newman $$$$