2-Propenoic acid, 2-methyl- NIST 06201314153D 1 1.00000 -306.48009 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 12 11 0 0 0 0 0 0 0 0999 V2000 1.9875 1.7624 -0.0504 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2344 0.4595 -0.0027 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0988 0.3644 0.0796 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0882 -0.7618 -0.0539 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3936 -1.9285 -0.0069 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3011 -0.7392 -0.1310 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3001 2.6119 -0.0088 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6927 1.8370 0.7851 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5849 1.8356 -0.9660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6018 -0.5955 0.1119 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7221 1.2540 0.1167 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0667 -2.6325 -0.0482 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 4 6 2 0 1 7 1 0 1 8 1 0 1 9 1 0 3 10 1 0 3 11 1 0 5 12 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 > 79-41-4 > 2-Propenoic acid, 2-methyl- Methacrylic acid 2-Methyl-2-propenoate 2-Methyl-2-propenoic acid > B3LYP/6-31G* > 1.5827 debye > -306.480094865 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 66.4646 0.3262 161.3344 0.2575 268.2179 2.6754 355.3512 6.9665 384.8654 2.5386 511.4549 17.4520 579.1104 22.8043 605.5034 69.4549 654.7372 42.7252 773.5793 15.9925 834.8487 23.2516 964.2819 4.0939 976.2726 34.9801 1033.9482 18.0619 1087.0786 0.8489 1164.4602 245.0854 1284.6454 12.3166 1406.6105 50.3807 1445.1192 7.4029 1467.1364 9.4379 1502.8617 6.3910 1519.5469 15.2892 1717.7828 13.5830 1817.9543 281.4185 3058.5604 13.1740 3114.3732 12.4382 3142.0284 15.3845 3177.0307 7.9434 3269.0404 4.1482 3701.1638 59.1935 > 5.34455 GHz 3.48480 GHz 2.13708 GHz > Gaussian 09, Revision D.01 > Michael Liou $$$$