NIST 07251414093D 1 1.00000 -594.09880 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 26 26 0 0 0 0 0 0 0 1 V2000 -0.4055 2.5890 -1.2098 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0826 1.8570 -0.0335 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4803 2.8117 0.0815 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3259 1.9545 -0.3859 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5820 2.6377 0.9465 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1054 2.7394 0.7540 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6055 1.7587 -0.0573 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7483 3.6040 1.3339 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5406 0.8644 -1.2373 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4634 0.0973 -1.6833 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0214 2.2645 0.0188 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9400 1.4948 -0.4302 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1667 0.4062 -1.2865 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9072 1.8932 -1.8866 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0853 3.4220 -0.9812 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4914 2.9898 -1.7037 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4306 2.2713 0.0207 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5766 3.7157 -0.5344 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3408 3.1409 1.1167 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1839 3.6591 1.0005 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3981 2.1547 1.9132 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8968 1.1321 -0.4236 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5514 0.6144 -1.5499 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6343 -0.7500 -2.3420 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8332 3.0980 0.6829 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3286 -0.1953 -1.6326 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 5 1 0 3 4 1 0 5 6 1 0 6 7 1 0 6 8 2 0 7 12 1 0 4 9 1 0 9 10 2 0 10 13 1 0 13 12 2 0 12 11 1 0 4 11 2 0 1 14 1 0 1 15 1 0 1 16 1 0 3 17 1 0 3 18 1 0 3 19 1 0 5 20 1 0 5 21 1 0 7 22 1 0 9 23 1 0 10 24 1 0 11 25 1 0 13 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. > 2014-07-25 > U307257 > B3LYP/6-31G* > 2.6055 debye > -594.098803717 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 34.2612 0.8003 46.3417 0.1087 58.6076 0.7706 87.5373 6.8292 111.1275 3.9844 128.4384 0.2367 175.3679 3.7962 212.8671 1.2340 230.5466 11.5258 263.3495 0.5464 309.8404 5.7655 383.8434 0.6840 409.9647 1.5244 451.6511 3.5657 487.9657 34.5062 524.4994 7.1268 530.7822 0.3902 563.0544 3.6241 599.0657 9.4143 686.8970 9.2011 701.0092 3.1553 719.6023 53.0604 779.3924 3.0799 791.6312 41.0939 881.0450 0.1458 929.3415 8.9074 940.0691 17.0759 962.6061 5.4428 962.9382 12.0906 976.3952 3.0268 1014.7183 1.0068 1035.5206 4.8997 1046.6408 7.4366 1076.7742 9.4264 1132.4462 43.7463 1139.0116 80.7969 1188.4435 2.7431 1192.5261 3.5479 1204.8637 3.0759 1225.5411 47.3570 1251.6028 33.0860 1296.9671 9.9399 1310.7863 11.2733 1338.5821 25.0895 1368.2406 8.9561 1380.8688 15.9068 1442.4791 0.1028 1479.7789 123.8019 1490.7328 0.4273 1508.9959 2.1987 1517.0583 27.3414 1518.6335 15.0242 1519.3536 8.4933 1534.4325 5.1925 1538.5337 18.4586 1590.8662 392.4038 1652.3206 107.3121 1666.4023 20.1585 1791.5281 223.7360 3015.2480 45.0512 3043.4855 28.9600 3052.6716 30.1296 3071.1293 53.1389 3101.0470 20.7808 3104.6987 13.8218 3127.5006 17.1114 3147.2939 23.5408 3172.1802 7.6666 3184.1074 19.9096 3203.1663 26.4263 3254.0123 3.0100 3564.4637 60.0278 > 1.64910 GHz 0.40928 GHz 0.34336 GHz > Gaussian 09, Revision D.01 > Emily Jin $$$$