Benzenemethanol, α,α-diphenyl- NIST 06231317423D 1 1.00000 -808.86746 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 36 38 0 0 0 0 0 0 0 0999 V2000 7.0341 3.7695 -2.0493 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2873 3.1008 -0.7967 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2480 1.9678 -0.7220 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7374 2.5715 -0.8428 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0679 4.0960 0.3615 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9365 1.3471 0.4953 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6169 1.5124 -1.8867 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0193 0.2975 0.5476 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3910 -0.1468 -0.6170 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6932 0.4665 -1.8326 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7975 3.4934 -0.7951 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0449 1.2196 -1.0305 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1205 3.0777 -0.9355 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4129 1.7247 -1.1203 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3708 0.7998 -1.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7347 3.9806 1.5890 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1293 5.1247 0.2037 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4708 4.8717 2.6316 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5378 5.8948 2.4621 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8686 6.0176 1.2428 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7837 4.3649 -2.2075 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4028 1.6906 1.4131 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8502 1.9866 -2.8321 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7913 -0.1675 1.5033 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6715 -0.9604 -0.5757 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2096 0.1322 -2.7471 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5880 4.5472 -0.6254 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2465 0.4874 -1.0747 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9227 3.8100 -0.8927 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4436 1.3964 -1.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5851 -0.2563 -1.3073 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4738 3.1976 1.7306 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6096 5.2186 -0.7438 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0016 4.7667 3.5744 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3353 6.5912 3.2715 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1394 6.8109 1.0992 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 2 5 1 0 3 6 1 0 6 8 2 0 8 9 1 0 9 10 2 0 10 7 1 0 3 7 2 0 4 11 1 0 11 13 2 0 13 14 1 0 14 15 2 0 15 12 1 0 4 12 2 0 5 16 1 0 16 18 2 0 18 19 1 0 19 20 2 0 20 17 1 0 5 17 2 0 1 21 1 0 6 22 1 0 7 23 1 0 8 24 1 0 9 25 1 0 10 26 1 0 11 27 1 0 12 28 1 0 13 29 1 0 14 30 1 0 15 31 1 0 16 32 1 0 17 33 1 0 18 34 1 0 19 35 1 0 20 36 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. > 2013-06-23 > 76-84-6 > Benzenemethanol, α,α-diphenyl- Methanol, triphenyl- Bl 3756 Hydroxytriphenylmethane > B3LYP/6-31G* > 1.4792 debye > -808.867456266 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 20.1553 0.0446 41.0138 0.0833 55.1517 0.2268 66.1630 0.0209 82.2415 0.3213 91.3140 0.1656 199.9011 3.1053 226.5704 4.6989 243.7508 0.7677 268.9253 82.5872 277.7467 10.6814 286.0538 13.1540 313.9198 8.1091 343.0676 30.2561 366.6828 7.8907 414.6173 0.1331 418.6235 0.6883 423.8802 0.2943 459.2471 4.6918 510.6412 0.9429 537.8970 1.1032 592.7587 5.2622 633.6036 0.2968 634.6190 0.3839 635.4180 0.0542 647.4097 24.5855 652.7700 15.4771 711.5341 7.7007 716.1312 24.5024 717.2996 28.3664 720.9584 27.8431 770.6762 22.1058 777.6873 30.6233 786.4821 25.3693 861.4424 0.3080 866.0695 0.0401 868.9671 0.0368 904.1671 19.9839 917.5423 16.9342 934.9089 4.6948 948.4176 2.7017 958.5360 6.4407 972.3591 0.3107 976.8765 0.2548 979.5141 0.0513 996.5673 0.6034 998.6327 0.5348 999.3296 0.3214 1017.5076 1.9580 1018.0957 1.9626 1019.0697 1.3165 1041.1221 50.4388 1061.3220 3.2292 1062.4177 6.9713 1062.4451 4.7652 1111.8272 0.9491 1117.5464 0.6709 1124.5140 0.9479 1178.5468 24.6049 1186.3707 15.2314 1192.8006 0.2683 1193.1871 0.7575 1194.0709 0.1351 1213.3827 14.3751 1219.4339 4.7506 1221.3211 3.1868 1223.8185 18.2438 1328.6206 29.3196 1342.5589 0.4212 1345.5434 0.9691 1364.2133 0.5467 1365.4769 4.3054 1370.1743 1.3374 1375.3197 63.1518 1490.3825 8.9866 1493.0995 6.1121 1496.4335 20.0872 1540.4961 11.9059 1542.9344 10.2483 1543.9596 12.5659 1638.1806 0.8880 1641.1804 0.6706 1642.0210 0.2083 1658.7250 5.2854 1659.5988 5.3297 1663.9648 0.5814 3175.6762 6.9117 3180.0173 0.6811 3180.1358 0.6260 3185.6142 1.1501 3189.1581 11.2242 3190.1070 21.6773 3195.5008 27.1839 3201.2559 39.3894 3203.6846 37.1048 3208.1372 29.7670 3209.4474 16.0049 3215.6087 10.9788 3224.7268 6.2635 3227.6602 5.2363 3243.5193 3.3000 3742.1264 13.7878 > 0.36894 GHz 0.36553 GHz 0.22462 GHz > Gaussian 09, Revision D.01 > Michael Liou $$$$