NIST 07171422273D 1 1.00000 -401.89491 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 17 17 0 0 0 0 0 0 0 0999 V2000 1.0221 1.9684 -0.5030 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3910 0.7079 -0.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5107 -0.4179 0.1236 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9746 2.9879 -0.7891 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0959 -1.6595 0.4322 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8946 -0.3227 0.1305 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7390 3.8345 -1.0262 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3098 -2.7684 0.7377 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6789 -1.4295 0.4355 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0810 -2.6569 0.7404 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0210 2.2686 -0.5538 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4567 0.4881 -0.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1796 -1.7490 0.4308 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3780 0.6211 -0.1039 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7829 -3.7175 0.9731 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7615 -1.3375 0.4359 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6979 -3.5190 0.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 4 1 0 0 0 0 1 11 1 0 0 0 0 2 3 1 0 0 0 0 2 12 1 0 0 0 0 3 5 1 0 0 0 0 3 6 2 0 0 0 0 4 7 3 0 0 0 0 5 8 2 0 0 0 0 5 13 1 0 0 0 0 6 14 1 0 0 0 0 8 10 1 0 0 0 0 8 15 1 0 0 0 0 9 6 1 0 0 0 0 9 16 1 0 0 0 0 10 9 2 0 0 0 0 10 17 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. > 2014-07-17 > 1885-38-7 > B3LYP/6-31G* > 5.3477 debye > -401.894906300 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 56.4434 0.2557 91.0398 3.2444 109.6449 4.2457 241.3959 1.6336 255.8264 2.1150 383.5206 1.4964 411.8737 0.1266 452.1420 5.8095 511.2969 3.1258 554.4096 0.1474 632.7679 1.8992 638.1310 5.8858 702.0743 18.6808 768.4056 45.1381 848.9353 0.9240 861.4618 2.0235 862.5879 1.0276 931.1859 0.0068 969.0778 0.0305 997.9350 6.2289 1013.8274 24.6154 1016.0832 0.7201 1035.6407 0.0791 1060.2537 0.7036 1117.4876 2.9152 1196.0616 0.2581 1218.4865 3.6543 1245.9586 9.5525 1311.2609 4.7896 1343.5943 0.5284 1373.3116 2.4276 1380.7159 5.1906 1498.1066 9.9340 1546.8053 3.9487 1634.2261 5.5440 1660.1206 8.4350 1688.2350 50.1154 2335.3374 54.0455 3177.8058 2.1389 3185.3104 6.9191 3190.3372 0.7582 3197.6509 13.2384 3201.4730 3.5240 3209.1198 28.5597 3216.6284 17.6473 > 5.11055 GHz 0.60333 GHz 0.53963 GHz > Gaussian 09, Revision D.01 > Ethan Ho $$$$