NIST 08091210383D 1 1.00000 -444.84348 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 6.3388 4.2560 -1.6052 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7091 2.7890 -1.9307 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0391 1.7581 -1.0474 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8570 5.1026 -2.6885 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7979 4.6666 -0.1956 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7403 1.0962 -0.0308 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6832 1.4450 -1.2269 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3867 6.4836 -2.6842 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1092 0.1556 0.7860 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0472 0.5075 -0.4137 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7590 -0.1412 0.5981 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2434 4.3411 -1.6504 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4420 2.6182 -2.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8008 2.6794 -1.8613 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8763 5.0919 -2.6581 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5109 5.6979 0.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3592 4.0189 0.5706 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8910 4.5935 -0.1105 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7948 1.3174 0.1195 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1232 1.9377 -2.0192 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8166 7.0095 -3.5436 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2966 6.4917 -2.8043 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6256 7.0671 -1.7773 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6748 -0.3470 1.5665 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9966 0.2783 -0.5735 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2660 -0.8748 1.2305 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 4 1 0 1 5 1 0 2 3 1 0 4 8 1 0 3 6 1 0 6 9 2 0 9 11 1 0 11 10 2 0 10 7 1 0 3 7 2 0 1 12 1 0 2 13 1 0 2 14 1 0 4 15 1 0 5 16 1 0 5 17 1 0 5 18 1 0 6 19 1 0 7 20 1 0 8 21 1 0 8 22 1 0 8 23 1 0 9 24 1 0 10 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. > 2012-08-09 > 33817-09-3 > B3LYP/6-31G* > 0.9286 debye > -444.843480782 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 40.0743 0.2414 53.5147 0.2318 80.9587 0.9064 100.8830 0.9811 218.9214 0.8701 229.9965 0.2961 246.1368 1.0647 267.5096 1.5414 314.3385 0.4468 361.9012 0.5581 417.7452 0.0119 443.4666 2.8552 448.9629 1.4850 535.4041 13.1966 601.3005 5.7833 636.9211 0.0297 715.4848 25.8483 748.8911 11.8636 774.0230 91.8706 833.7735 4.4323 850.0766 9.8372 861.3049 0.3240 910.2329 4.8473 922.8493 1.4269 933.2394 0.5976 965.8086 0.0176 993.3041 0.1252 1018.1830 0.3524 1045.4768 5.5697 1059.0192 2.7383 1070.6497 3.2659 1114.5365 7.0659 1119.6216 5.8385 1154.0095 53.7945 1178.0986 8.0459 1192.0200 0.1655 1206.8387 33.4484 1213.9006 0.5616 1232.7715 0.2725 1258.0899 3.3280 1331.6581 0.3844 1355.4595 2.0893 1365.9398 1.1033 1378.6524 7.1351 1391.6179 7.7714 1431.1452 10.4499 1482.0015 2.9264 1500.1696 4.7681 1504.4180 16.3294 1515.4586 0.3365 1520.3579 9.3807 1526.8770 1.6280 1538.2953 12.4280 1546.7133 9.0016 1549.5183 9.3956 1642.8147 1.0784 1665.5236 5.5248 2970.8466 87.7269 3024.8781 1.4561 3034.7143 23.3959 3041.6110 40.6565 3070.5651 47.3206 3088.4519 19.5348 3108.3218 29.4842 3113.9302 41.1655 3127.4598 33.1775 3171.8039 9.7952 3174.4449 4.9878 3186.4737 8.5085 3194.7898 44.5247 3207.4493 23.2183 3470.3023 1.8538 > 2.83901 GHz 0.51730 GHz 0.48688 GHz > Gaussian 09, Revision C.01 > Alexander Yang $$$$