NIST 07121413293D 1 1.00000 -804.94954 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 26 26 0 0 0 0 0 0 0 0999 V2000 9.0369 0.9896 -0.0413 S 0 0 0 0 0 0 0 0 0 0 0 0 7.7106 1.9836 -0.6420 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5404 1.4421 -0.4841 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6143 0.2004 0.1259 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8769 -0.2317 0.4467 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9418 3.3473 -1.2304 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3242 -1.4976 1.1231 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7441 -1.3125 2.5962 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3236 -0.5319 0.3639 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1118 4.4443 -0.1637 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1684 -2.6277 3.2557 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8227 3.3283 -1.8839 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0735 3.5721 -1.8585 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5078 -2.2283 1.0734 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1607 -1.9433 0.5669 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5671 -0.5878 2.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9081 -0.8665 3.1503 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4831 -1.5182 0.8068 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6735 0.0417 1.0355 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7776 -0.6609 -0.5778 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2485 5.4223 -0.6385 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2280 4.4951 0.4804 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9834 4.2498 0.4708 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4637 -2.4709 4.2991 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3505 -3.3588 3.2474 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0206 -3.0788 2.7325 H 0 0 0 0 0 0 0 0 0 0 0 0 2 6 1 0 5 7 1 0 7 8 1 0 4 9 1 0 6 10 1 0 8 11 1 0 4 5 2 0 5 1 1 0 1 2 1 0 2 3 2 0 4 3 1 0 6 12 1 0 6 13 1 0 7 14 1 0 7 15 1 0 8 16 1 0 8 17 1 0 9 18 1 0 9 19 1 0 9 20 1 0 10 21 1 0 10 22 1 0 10 23 1 0 11 24 1 0 11 25 1 0 11 26 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. > 2014-07-12 > R217393 > B3LYP/6-31G* > 1.0369 debye > -804.949540216 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 34.4045 0.0041 36.7358 0.0487 65.5458 0.2535 76.7917 0.0267 99.3778 0.0436 149.2658 1.0558 196.1757 0.7639 202.3612 0.9312 241.6725 0.0444 268.6062 1.9441 280.8347 0.6044 301.0375 2.1025 311.7870 0.2402 394.9215 0.6331 463.8778 2.2178 533.3400 0.4666 561.1654 4.7977 633.8848 4.7145 655.3320 6.2922 661.8731 1.3037 709.4363 2.0301 751.6413 1.7384 806.5612 0.8633 859.8459 3.0216 902.2149 3.5498 938.2917 1.7544 967.6531 17.2527 1010.6943 3.1864 1048.0668 0.2974 1072.9867 16.4186 1074.9597 2.0169 1100.7824 10.6288 1119.3490 3.5927 1152.6233 3.7362 1192.9258 4.6289 1199.4164 40.9041 1279.4316 3.7352 1307.2833 2.8798 1324.2743 1.6999 1337.8643 3.4013 1347.0065 7.5549 1370.7115 5.8265 1401.2170 0.4272 1434.7035 1.8300 1440.6377 0.5584 1442.2553 2.0310 1506.1941 2.5666 1506.8772 1.8595 1507.3345 4.0710 1518.3089 2.0237 1523.3106 2.1231 1525.7162 8.1955 1529.4414 6.3810 1534.3515 5.2256 1539.2608 4.4780 1563.6855 20.0545 1611.7140 28.4764 3032.3512 10.9500 3042.1629 18.8658 3046.1820 53.6780 3052.7833 29.6747 3054.2235 24.7912 3057.3190 20.5599 3067.6023 4.4057 3086.4322 11.3947 3104.5873 14.9246 3104.8279 1.8712 3109.5635 63.2787 3115.5060 36.6789 3124.5016 39.7589 3134.7514 27.2584 3144.0633 21.6815 > 1.62484 GHz 0.52857 GHz 0.44030 GHz > Gaussian 09, Revision D.01 > Sonia Dermer $$$$