Benzenamine, 4-methyl- NIST 07221318503D 1 1.00000 -326.91901 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 7.2694 3.0387 -0.9935 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3511 1.8841 -0.6649 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8562 0.6103 -0.3747 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9589 2.0367 -0.6634 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0161 -0.4664 -0.1023 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6216 -0.3037 -0.1076 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7712 -1.3669 0.2285 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1052 0.9700 -0.3929 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2265 2.9528 -0.4668 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4958 3.0869 -2.0679 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8209 3.9991 -0.7156 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9330 0.4530 -0.3617 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5286 3.0127 -0.8793 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4413 -1.4416 0.1268 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8368 -1.2910 -0.1557 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1600 -2.2849 0.0482 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0280 1.1245 -0.3915 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 6 7 1 0 2 3 1 0 3 5 2 0 5 6 1 0 6 8 2 0 8 4 1 0 2 4 2 0 1 9 1 0 1 10 1 0 1 11 1 0 3 12 1 0 4 13 1 0 5 14 1 0 7 15 1 0 7 16 1 0 8 17 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. > 2013-07-22 > 106-49-0 > Benzenamine, 4-methyl- p-Toluidine 1-Amino-4-methylbenzene 4-Aminotoluene > B3LYP/6-31G* > 1.5532 debye > -326.919010365 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 55.7287 0.1273 142.3378 3.5259 279.3426 23.6164 299.9809 0.2565 324.7722 2.8598 408.9818 0.0253 420.1213 0.4745 468.2145 1.6144 514.4855 46.0533 644.2409 331.6524 660.8135 0.0465 717.1349 8.5843 757.0600 6.5189 824.9972 60.4068 826.8021 0.2752 856.4553 3.8564 939.6661 0.9593 943.3048 0.0023 1014.3212 0.2318 1034.1533 0.2208 1075.6429 9.8659 1109.4512 2.4575 1165.4415 8.1203 1217.2794 6.8050 1243.6651 0.5030 1315.7694 65.3711 1350.6467 4.6733 1371.9430 4.1382 1444.4456 0.9477 1479.6736 0.0140 1518.6885 5.0333 1528.5494 6.8207 1571.0482 87.4585 1638.7410 2.4960 1678.2769 9.0229 1696.7404 103.0382 3032.6841 48.5319 3088.4070 26.9231 3116.8252 19.4671 3165.7685 33.5656 3166.1716 0.8052 3182.3038 54.8425 3185.7691 0.0874 3541.3469 8.5145 3638.8670 6.4366 > 5.46260 GHz 1.44560 GHz 1.15264 GHz > Gaussian 09, Revision D.01 > Michael Liou $$$$