NIST 06191406313D 1 1.00000 -474.93214 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 15 15 0 0 0 0 0 0 0 0999 V2000 4.4496 -1.7821 -0.3731 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2847 -2.4964 -0.0609 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3733 -0.3949 -0.4749 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0951 -1.9154 0.1461 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3124 -3.9841 0.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0349 -0.5806 0.0452 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1424 0.2218 -0.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6935 0.0302 0.2825 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3121 -4.6543 -0.0983 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4777 1.2236 0.2292 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3751 -2.3274 -0.5261 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2544 0.1932 -0.7150 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3287 -4.4296 0.3104 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0110 1.2970 -0.3253 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0977 -0.7093 0.5186 H 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 5 9 2 0 6 8 1 0 8 10 2 0 7 3 1 0 3 1 2 0 1 2 1 0 2 4 2 0 4 6 1 0 7 6 2 0 1 11 1 0 3 12 1 0 5 13 1 0 7 14 1 0 8 15 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. > 2014-06-19 > 5431-44-7 > B3LYP/6-31G* > 1.8227 debye > -474.932141213 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 86.0644 8.6989 149.6248 0.0004 164.6352 8.7890 206.7993 0.0003 259.9040 12.6040 269.6978 21.7419 396.6856 0.1910 436.4808 3.4994 499.1020 7.6985 542.5931 0.0001 636.5230 28.0318 711.8696 39.0718 747.1424 0.8960 802.9645 42.4892 828.0090 33.1072 928.6774 31.0371 968.3359 0.0000 1014.2852 8.0456 1022.3480 0.0203 1034.8206 0.8170 1039.5417 0.0001 1106.4742 8.4368 1180.7199 0.0902 1241.7602 50.4084 1285.9285 38.1200 1349.0770 2.3665 1385.8772 25.9999 1407.1980 0.6537 1479.3148 0.2215 1491.0799 0.8396 1624.7309 0.5184 1632.3527 1.8166 1808.3148 391.0543 1813.3755 0.5516 2971.8026 11.7061 2974.2783 162.3080 3206.1577 6.7055 3230.5182 0.2077 3233.3188 2.7098 > 3.42310 GHz 0.81752 GHz 0.65992 GHz > Gaussian 09, Revision D.01 > Ethan Ho $$$$