1,1'-Biphenyl, 2-methoxy- NIST 06201314153D 1 1.00000 -577.82519 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 6.9906 2.9702 -0.6563 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4148 4.2641 -0.7161 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1621 1.8831 -0.6152 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7884 0.6196 -0.4784 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7679 1.9792 -0.6834 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9637 -0.5110 -0.4134 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2657 0.4617 -0.3831 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9782 0.8289 -0.6178 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5726 -0.4218 -0.4817 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8143 -0.3909 0.5897 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1445 1.1056 -1.2707 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1912 -0.5977 0.6724 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5201 0.8965 -1.1904 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0508 0.0447 -0.2192 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2533 4.9629 -0.7058 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8343 4.4093 -1.6370 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7693 4.4594 0.1505 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2894 2.9465 -0.7834 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4358 -1.4858 -0.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8970 0.9222 -0.6761 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9657 -1.3214 -0.4363 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1527 -0.8812 1.2988 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7432 1.7681 -2.0295 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5913 -1.2571 1.4384 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1806 1.3994 -1.8923 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1242 -0.1139 -0.1567 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 4 7 1 0 3 4 1 0 4 6 2 0 6 9 1 0 9 8 2 0 8 5 1 0 3 5 2 0 7 10 1 0 10 12 2 0 12 14 1 0 14 13 2 0 13 11 1 0 7 11 2 0 2 15 1 0 2 16 1 0 2 17 1 0 5 18 1 0 6 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 14 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. > 2013-06-20 > 86-26-0 > 1,1'-Biphenyl, 2-methoxy- Anisole, o-phenyl- 1-Methoxy-2-phenylbenzene 2-Hydroxybiphenyl methyl ether > B3LYP/6-31G* > 1.5797 debye > -577.825190625 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 56.7824 0.2699 83.2570 2.9506 92.8468 2.0106 107.5829 0.2204 200.4337 0.1646 229.5723 0.3391 274.2771 0.2076 301.1821 0.2204 318.8390 1.1703 351.8146 0.5087 419.1504 0.0571 452.6497 2.4836 511.0455 0.9655 552.9956 3.3840 575.9933 2.1286 581.5697 4.5393 627.1120 6.6465 636.4043 0.5811 713.8056 22.6732 737.9528 11.1735 740.7447 5.0087 767.0918 58.5799 785.9367 11.8022 817.6588 6.3937 859.8495 0.3145 862.6796 1.2160 927.9282 2.8895 943.1521 1.0240 968.1867 0.5657 972.6495 0.0442 992.2057 0.2031 1018.4081 0.3277 1025.0180 8.3455 1066.3487 12.2983 1068.6055 20.4736 1093.3520 22.9046 1112.5201 4.0316 1155.6075 22.9066 1184.8170 0.8987 1192.7355 0.0359 1198.3901 3.0817 1217.7786 1.8108 1218.9489 6.8816 1278.5102 60.4158 1301.0667 149.6929 1312.2898 2.1678 1343.0064 6.9342 1350.9332 16.4127 1369.4646 1.4372 1477.5998 46.3523 1496.6826 4.0199 1509.6778 1.9536 1522.2458 5.8816 1530.9284 73.9769 1539.8326 11.6794 1555.3296 18.4084 1629.6789 3.1274 1641.6901 7.3116 1655.9871 25.4474 1662.4585 5.4579 3025.0965 62.8861 3084.2532 41.2785 3156.6064 21.3659 3178.3120 2.2234 3185.4313 0.5578 3186.8269 9.5591 3194.8798 30.5503 3198.0994 16.6580 3206.9440 33.5852 3210.4752 28.3249 3226.1842 7.8439 3227.6558 14.2944 > 1.23104 GHz 0.50044 GHz 0.37866 GHz > Gaussian 09, Revision D.01 > Michael Liou $$$$