NIST 07181513143D 1 1.00000 -1888.26174 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. 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All rights reserved. > 2015-07-18 > 7098-26-2 > B3LYP/6-31G* > 0.0000 debye > -1888.26173949 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 4.1862 0.0000 4.5365 0.0000 7.3713 0.0000 8.4510 0.0000 11.1536 0.0002 14.4566 0.0001 16.1690 0.0000 22.1870 0.0004 22.4703 0.0000 29.3716 0.0000 32.4385 0.0002 37.3562 0.0009 41.9998 0.0008 44.2658 0.0000 45.2963 0.0000 47.1170 0.0000 48.1191 0.0000 51.7076 0.0008 56.4983 0.0004 57.8981 0.0004 58.9066 0.0000 66.8094 0.0000 66.9948 0.0005 73.2107 0.0000 75.6288 0.0000 77.5714 0.0006 84.6330 0.0003 88.5410 0.0000 90.0313 0.0009 93.8785 0.0000 95.8892 0.0010 99.4270 0.0008 103.3512 0.0000 108.4434 0.0000 109.8109 0.0000 113.1659 0.0000 119.4191 0.0005 123.3069 0.0001 128.1854 0.0014 128.3980 0.0000 133.3399 0.0000 136.8907 0.0002 142.5855 0.0000 142.8438 0.0002 144.9023 0.0000 149.3540 0.0000 151.5482 0.0000 152.3796 0.0001 159.2414 0.0000 159.2669 0.0001 165.3890 0.0000 165.8736 0.0000 170.7047 0.0000 171.0393 0.0026 171.2973 0.0001 175.0521 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3057.6652 0.0000 3059.7429 0.9642 3061.7923 0.0000 3063.8006 2.3210 3065.7575 0.0000 3067.6515 4.9000 3069.4744 0.0000 3071.2128 9.5700 3072.8562 0.0000 3074.3897 18.7153 3075.7988 0.0000 3077.0678 41.1293 3078.1782 0.0000 3079.1110 126.1223 3079.8411 0.0003 3080.3286 1312.1044 3105.8121 8.1291 3105.8126 135.9686 3110.1903 74.0741 3110.1914 18.0588 > 1.74441 GHz 0.00235 GHz 0.00235 GHz > Gaussian 09, Revision D.01 > Ashley Zhang $$$$