NIST 07091511163D 1 1.00000 -366.23819 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 20 20 0 0 0 0 0 0 0 0999 V2000 4.1681 -0.4665 -0.6515 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0848 0.2373 -0.1145 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2511 -1.8447 -0.4759 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1361 -0.5229 0.5800 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9405 1.7312 -0.2678 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1996 -1.8453 0.7586 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2455 -2.5087 0.2388 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2651 -4.0072 0.4484 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1508 -4.7237 -0.3320 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9433 0.0621 -1.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0874 -2.4044 -0.8862 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2710 -0.0267 1.0219 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7880 2.2652 0.1799 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8957 2.0251 -1.3238 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0276 2.0922 0.2166 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2442 -4.4078 0.1588 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1369 -4.2087 1.5191 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1568 -5.7994 -0.1232 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1737 -4.3208 -0.0479 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2733 -4.5865 -1.4127 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 10 1 0 0 0 0 2 5 1 0 0 0 0 2 1 2 0 0 0 0 2 4 1 0 0 0 0 3 7 2 0 0 0 0 3 11 1 0 0 0 0 4 12 1 0 0 0 0 5 13 1 0 0 0 0 5 14 1 0 0 0 0 5 15 1 0 0 0 0 6 4 2 0 0 0 0 7 8 1 0 0 0 0 7 6 1 0 0 0 0 8 9 1 0 0 0 0 8 16 1 0 0 0 0 8 17 1 0 0 0 0 9 18 1 0 0 0 0 9 19 1 0 0 0 0 9 20 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. > 2015-07-09 > 18113-81-0 > B3LYP/6-31G* > 1.9744 debye > -366.238185295 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 40.2571 1.0792 50.5313 0.0182 101.7143 0.7990 211.6253 0.6083 228.6839 0.1449 302.1612 0.7649 362.7420 0.2476 398.6510 1.3051 424.3596 2.4299 480.2856 0.8432 555.1560 4.9396 657.9550 2.8058 721.4126 0.8216 776.1278 0.3999 801.9700 0.9400 844.9610 6.3460 851.7464 12.7950 948.6133 0.2107 982.1039 0.0131 988.0002 1.3685 1015.6625 1.1627 1051.9680 10.8575 1078.5868 3.8126 1088.0516 6.5085 1097.9575 7.4977 1170.9809 3.2997 1244.6708 0.7692 1258.3624 12.7689 1280.5752 0.3289 1318.4087 2.4972 1353.7839 3.4732 1380.5153 2.3010 1429.6921 11.8339 1430.5351 12.1129 1445.6811 0.0492 1510.9004 1.1859 1515.8881 5.7123 1524.0561 5.0780 1526.1927 9.0427 1533.7313 21.0205 1542.8469 26.5868 1621.1899 17.6450 1659.3491 16.5692 3043.4671 34.9728 3049.7990 24.0660 3051.1888 36.2158 3087.0542 11.6576 3095.5156 19.9435 3116.9769 45.6423 3124.1360 13.1122 3135.8527 27.6189 3150.3642 40.7721 3175.1200 15.0050 3198.6081 17.5561 > 4.43765 GHz 0.96841 GHz 0.84995 GHz > Gaussian 09, Revision D.01 > Ashley Zhang $$$$