NIST 08041412433D 1 1.00000 -0.03741 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 32 33 0 0 0 0 0 0 0 0999 V2000 -1.0944 0.7892 0.8595 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5527 -0.2224 0.0473 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4703 0.9994 0.9291 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9774 -0.4225 0.0217 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4395 -1.0055 -0.7046 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5546 0.9538 -0.4098 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4246 -1.5404 -0.9530 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4780 -0.7999 1.4426 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0620 1.7112 0.3977 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4223 1.3597 -1.8700 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9675 -1.1620 1.4754 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2432 -2.2395 0.5195 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9264 -1.8303 -0.8468 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8195 -0.7973 -0.6344 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3418 0.2039 0.1828 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4287 1.4248 1.4363 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8611 1.7887 1.5661 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0649 -1.7918 -1.3507 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8944 -2.4627 -0.6902 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1617 -1.2972 -1.9888 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2944 0.0259 2.1343 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8952 -1.6631 1.7845 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4588 1.0590 -2.2924 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5469 2.4417 -1.9495 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2102 0.8772 -2.4621 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2295 -1.5165 2.4793 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5651 -0.2547 1.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2242 -2.5049 0.5783 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1868 -2.6489 -1.5279 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5040 -0.9413 -1.1752 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4849 -1.4231 -1.2237 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4151 0.3653 0.2358 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 1 16 1 0 0 0 0 2 4 1 0 0 0 0 2 5 2 0 0 0 0 3 17 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 5 14 1 0 0 0 0 5 18 1 0 0 0 0 6 9 2 0 0 0 0 6 10 1 0 0 0 0 7 13 1 0 0 0 0 7 19 1 0 0 0 0 7 20 1 0 0 0 0 8 4 1 0 0 0 0 8 21 1 0 0 0 0 8 22 1 0 0 0 0 10 23 1 0 0 0 0 10 24 1 0 0 0 0 10 25 1 0 0 0 0 11 8 1 0 0 0 0 11 26 1 0 0 0 0 11 27 1 0 0 0 0 12 11 1 0 0 0 0 12 13 1 0 0 0 0 12 28 1 0 0 0 0 13 29 1 0 0 0 0 13 30 1 0 0 0 0 14 15 2 0 0 0 0 14 31 1 0 0 0 0 15 3 1 0 0 0 0 15 32 1 0 0 0 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. > 2014-08-04 > 34798-80-6 > PM6 > 2.5264 debye > -0.374112465844E-01 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 26.9636 0.0508 50.0880 5.3927 76.7783 0.6241 79.6142 0.6795 110.0028 2.8970 139.7247 0.5403 163.7586 3.8144 226.1096 2.9307 240.7233 2.5716 264.7139 5.7890 291.0160 0.1779 329.6814 1.4054 350.2131 0.1842 358.9129 5.8031 398.5578 2.1003 463.0615 0.5107 484.3246 11.9109 506.5022 10.6225 547.0087 11.7007 589.7279 22.3827 600.2352 2.4617 647.2764 37.0891 653.7447 4.7315 743.1703 3.8111 799.7611 85.3798 817.8120 2.3349 856.6059 17.3620 880.3145 0.0475 915.8687 4.8571 931.3427 2.2858 946.8045 5.8504 972.1176 77.8384 973.3343 12.5995 976.1213 14.8785 987.4582 1.1368 1003.3076 2.1993 1008.7442 23.7264 1016.0061 34.4397 1035.7207 2.7543 1068.0866 5.0167 1080.1303 25.0226 1124.3563 11.0883 1129.0984 37.2758 1141.9207 1.4997 1147.3195 0.2186 1156.5727 14.4736 1159.9646 5.2248 1190.9774 69.3753 1214.6235 50.4509 1218.3243 18.9499 1223.4226 0.4502 1225.6483 2.1562 1227.3467 57.8999 1237.3920 3.4639 1259.0513 31.0100 1262.6092 29.8975 1273.8410 20.5498 1282.5677 19.6689 1284.8659 5.0016 1289.6728 15.1178 1295.1382 6.1930 1301.3847 29.4972 1305.6952 1.6379 1314.8042 6.6454 1320.4896 173.3329 1325.7954 10.0440 1354.7323 14.9600 1458.7467 5.0726 1477.5828 7.7015 1513.8359 25.5658 1637.4451 2.8523 1648.7859 13.2057 1794.9250 311.7759 2640.4091 19.4413 2644.8293 10.0553 2668.3626 38.0311 2675.8663 66.1628 2688.7788 94.8491 2690.1893 104.5704 2715.7871 23.9357 2717.6863 30.5356 2735.7762 50.5789 2739.7154 43.5477 2741.6805 52.5693 2743.2744 34.0773 2752.5921 43.0439 2755.1516 197.1415 2766.9685 115.1861 2784.9063 71.0512 2787.4833 69.7719 > 1.08386 GHz 0.43420 GHz 0.39594 GHz > Gaussian 09, Revision D.01 > Ethan Ho $$$$