NIST 08091210373D 1 1.00000 -422.74522 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 24 26 0 0 0 0 0 0 0 0999 V2000 26.9957 30.9234 0.0081 N 0 0 0 0 0 0 0 0 0 0 0 0 25.5261 30.9369 0.0549 C 0 0 0 0 0 0 0 0 0 0 0 0 27.4739 29.5494 -0.2143 C 0 0 0 0 0 0 0 0 0 0 0 0 27.5197 31.5385 1.2389 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0264 30.1267 1.2681 C 0 0 0 0 0 0 0 0 0 0 0 0 25.6090 30.7831 2.5440 C 0 0 0 0 0 0 0 0 0 0 0 0 25.4654 28.6534 1.0878 C 0 0 0 0 0 0 0 0 0 0 0 0 26.9454 28.5227 0.7801 C 0 0 0 0 0 0 0 0 0 0 0 0 27.7233 27.5751 1.3135 C 0 0 0 0 0 0 0 0 0 0 0 0 27.0647 30.9771 2.5126 N 0 0 0 0 0 0 0 0 0 0 0 0 25.1363 30.5269 -0.8867 H 0 0 0 0 0 0 0 0 0 0 0 0 25.1912 31.9805 0.1208 H 0 0 0 0 0 0 0 0 0 0 0 0 28.5701 29.5506 -0.2211 H 0 0 0 0 0 0 0 0 0 0 0 0 27.1485 29.2635 -1.2267 H 0 0 0 0 0 0 0 0 0 0 0 0 28.6135 31.4957 1.2136 H 0 0 0 0 0 0 0 0 0 0 0 0 27.2227 32.5953 1.2099 H 0 0 0 0 0 0 0 0 0 0 0 0 23.9292 30.1637 1.3233 H 0 0 0 0 0 0 0 0 0 0 0 0 25.1378 31.7689 2.6730 H 0 0 0 0 0 0 0 0 0 0 0 0 25.3591 30.1943 3.4351 H 0 0 0 0 0 0 0 0 0 0 0 0 25.2026 28.0522 1.9677 H 0 0 0 0 0 0 0 0 0 0 0 0 24.8951 28.2376 0.2415 H 0 0 0 0 0 0 0 0 0 0 0 0 27.5222 30.0815 2.6629 H 0 0 0 0 0 0 0 0 0 0 0 0 27.3321 26.8344 2.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 28.7794 27.4953 1.0635 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 4 1 1 0 2 5 1 0 8 3 1 0 10 4 1 0 5 6 1 0 5 7 1 0 6 10 1 0 7 8 1 0 8 9 1 0 9 10 1 0 2 11 1 0 2 12 1 0 3 13 1 0 3 14 1 0 4 15 1 0 4 16 1 0 5 17 1 0 6 18 1 0 6 19 1 0 7 20 1 0 7 21 1 0 8 22 1 0 9 23 1 0 9 24 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 > 281-29-8 > B3LYP/6-31G* > 1.4397 debye > -422.745218535 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 132.1800 0.0347 166.6476 0.4060 273.2050 2.2198 349.9548 0.3736 363.6504 0.1335 374.7560 0.5700 416.4651 0.5777 429.3359 2.5213 466.1081 0.5299 511.7433 2.9978 611.3208 2.1741 629.6068 15.2335 716.8392 1.3438 754.0362 2.8276 786.6565 92.9650 811.1376 12.4384 834.6714 45.0435 890.5671 0.1734 913.2434 22.3458 918.8692 21.6487 934.2645 39.2740 951.3378 4.6111 971.3613 3.7153 980.3091 32.9198 1016.8790 17.0337 1029.5976 7.8186 1046.2794 41.5341 1096.7467 9.5863 1105.4071 28.1616 1159.0051 29.5602 1169.8428 8.8820 1201.2166 0.5293 1236.8496 5.5589 1278.9394 4.9013 1306.2536 4.1435 1337.4114 4.5084 1338.9345 5.9375 1358.0561 6.2404 1365.8210 5.6936 1369.0358 4.3713 1392.7584 0.4815 1396.9119 4.7162 1409.3978 9.6661 1421.7812 6.8533 1477.4474 2.0090 1492.3092 4.8260 1502.2558 4.6044 1506.3770 11.8949 1508.9508 6.1345 1525.9878 4.0317 1529.0149 5.8962 1724.0324 10.5201 3001.4657 14.3349 3008.9129 39.7946 3019.3331 34.1898 3027.5556 34.3538 3040.3471 99.4879 3047.0343 81.0509 3065.7256 19.3175 3073.3985 45.5308 3077.4113 49.2425 3083.5514 19.6146 3107.0515 35.8957 3147.6345 11.6362 3222.6947 17.7411 3517.6469 1.2406 > 1.90117 GHz 1.38875 GHz 1.29329 GHz > Gaussian 09, Revision C.01 > Alexander Yang $$$$