NIST 06251420433D 1 1.00000 -403.13554 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 19 20 0 0 0 0 0 0 0 0999 V2000 -1.7712 1.6253 1.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4375 0.9762 0.9467 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7710 1.6170 0.4864 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1191 -0.3428 1.1448 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7859 0.6214 0.4285 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0937 2.9346 0.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2128 -0.5652 0.8360 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0918 0.9089 0.0179 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3896 3.2252 -0.2905 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3787 2.2215 -0.3399 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5115 0.8993 1.5168 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7155 2.4294 1.9097 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1610 2.0729 0.2402 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7444 -1.1569 1.4868 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3390 3.7163 0.1524 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6853 -1.4527 0.8994 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8555 0.1360 -0.0209 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6487 4.2409 -0.5773 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3839 2.4777 -0.6636 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 9 10 2 0 10 8 1 0 8 5 2 0 5 7 1 0 7 4 1 0 4 2 2 0 2 3 1 0 5 3 1 0 3 6 2 0 9 6 1 0 1 11 1 0 1 12 1 0 1 13 1 0 4 14 1 0 6 15 1 0 7 16 1 0 8 17 1 0 9 18 1 0 10 19 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. > 2014-06-25 > 83-34-1 > B3LYP/6-31G* > 2.0541 debye > -403.135541572 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 132.7169 0.4813 157.0569 3.8719 223.2736 0.4590 229.7447 9.1239 274.6417 25.6835 372.3322 72.7352 435.8030 0.5967 469.3652 2.5183 538.8582 2.1043 570.6529 1.6530 588.3940 5.0106 622.1539 1.3210 720.1545 0.1782 754.5991 60.6592 775.2415 3.4150 777.9753 0.7649 787.7031 10.3597 857.5842 0.3017 888.8842 0.0639 920.7793 1.0813 964.5727 0.0000 1009.1253 5.0065 1043.7232 6.4262 1082.1399 0.6331 1096.7985 9.9739 1115.5342 25.4450 1159.4091 0.9373 1187.1122 0.8203 1257.3348 11.5544 1281.1417 11.7411 1335.7445 7.8138 1380.0444 13.1052 1389.3031 17.3809 1449.6018 0.0392 1462.5094 16.8088 1500.8183 23.9966 1511.3434 5.4783 1527.8861 9.2695 1541.3901 1.2038 1615.0735 3.3522 1636.8818 0.5386 1679.8529 4.2309 3032.8440 47.0928 3078.2849 27.1168 3114.3699 22.1474 3178.0270 2.0262 3184.5763 4.5325 3195.1910 39.9152 3206.9943 27.9968 3261.8810 3.8249 3672.4183 57.8361 > 2.60771 GHz 1.26055 GHz 0.85428 GHz > Gaussian 09, Revision D.01 > Ethan Ho $$$$