Phenol, 2-[(phenylimino)methyl]- NIST 11071316233D 1 1.00000 -631.98384 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 26 27 0 0 0 0 0 0 0 0999 V2000 7.1565 2.8395 -0.7607 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7934 3.9572 -1.2988 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2346 1.7412 -0.5490 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7227 4.9879 -1.5391 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4700 7.1338 -2.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1399 7.3752 -1.6639 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9200 5.8185 -2.1484 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2689 6.3127 -1.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0563 4.7498 -1.9139 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4956 -0.4131 -0.1156 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8412 -0.5213 0.2696 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0111 0.7463 -0.7073 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6921 0.5508 0.0515 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8666 1.8359 -0.9322 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3611 2.9396 -1.5034 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1897 2.6818 -0.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1455 7.9636 -2.2056 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7776 8.3955 -1.5704 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9464 5.6212 -2.4466 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2321 6.4883 -1.1666 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4036 3.7303 -2.0553 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8187 -1.2472 0.0506 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2095 -1.4317 0.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9723 0.8401 -1.0075 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7384 0.4866 0.3432 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1039 3.6023 -1.5772 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 1 3 1 0 2 4 1 0 14 15 1 0 3 13 1 0 13 11 2 0 11 10 1 0 10 12 2 0 12 14 1 0 3 14 2 0 4 8 1 0 8 6 2 0 6 5 1 0 5 7 2 0 7 9 1 0 4 9 2 0 1 16 1 0 5 17 1 0 6 18 1 0 7 19 1 0 8 20 1 0 9 21 1 0 10 22 1 0 11 23 1 0 12 24 1 0 13 25 1 0 15 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. > 2013-11-07 > 779-84-0 > Phenol, 2-[(phenylimino)methyl]- Phenol, o-(N-phenylformimidoyl)- o-Cresol, α-phenylimino- (Salicylideneamino)benzene > B3LYP/6-31G* > 2.2284 debye > -631.983840041 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 42.2341 0.3322 58.0344 0.3636 79.5601 0.0972 149.5267 0.2521 202.8484 1.1670 224.1998 1.4937 267.9101 0.9679 318.5961 2.5752 345.9806 0.3997 423.0903 0.7451 451.8075 2.6751 462.3436 2.9899 501.3389 0.7405 535.7294 7.9947 554.6832 11.0509 562.3824 1.5511 584.2518 6.3787 632.7138 0.0237 672.7732 4.2767 708.1946 18.7815 737.5299 2.0348 767.3442 43.5921 776.3261 43.0520 799.9247 17.5667 816.3060 77.6863 849.4733 1.0220 863.2987 10.4497 871.6918 0.2334 911.3876 15.9131 932.0388 10.0734 941.8062 1.7785 965.6348 0.1456 982.0308 0.3224 993.0890 0.3065 1006.5064 7.0138 1017.8064 1.9984 1054.8991 3.3640 1060.8770 3.9094 1113.7225 5.1405 1148.0830 6.3164 1188.3516 28.6656 1191.8017 0.5217 1204.4619 12.8688 1223.5257 93.5961 1261.6766 14.2868 1281.4706 8.0496 1335.3192 20.0302 1340.7591 39.0957 1365.5083 3.5610 1376.1760 1.7234 1414.2921 16.7957 1471.0625 46.6915 1499.1567 3.3026 1512.8386 74.2459 1537.1271 52.6797 1553.2007 46.7169 1629.9183 151.5073 1635.5925 5.5253 1653.0877 94.6138 1682.4408 26.7705 1686.5878 222.6480 3062.7106 46.3785 3176.2865 17.2742 3184.0027 60.0665 3185.5172 374.9377 3191.7249 3.3598 3192.1050 15.2979 3202.2205 17.2963 3208.6941 20.2165 3212.8151 21.7122 3215.3200 16.9519 3220.7670 18.0031 > 1.97454 GHz 0.27006 GHz 0.24251 GHz > Gaussian 09, Revision D.01 > Katherine Hafner $$$$