Acetic acid, ammonium salt (1:1) NIST 11121313213D 1 1.00000 -285.65328 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 12 10 0 0 0 0 0 0 0 0999 V2000 0.9893 0.2791 0.0478 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3291 1.4030 0.3890 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4506 -0.1819 -0.0049 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8394 -0.6820 -0.3203 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1771 0.6922 -0.0338 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5902 -1.0449 0.6548 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1114 0.6302 0.3002 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7014 -0.5069 -1.0202 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7812 -0.3121 -0.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5689 1.4607 0.2567 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8289 0.5013 0.7250 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7220 1.0063 -0.8346 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 1 4 1 0 1 2 2 0 3 6 1 0 3 7 1 0 3 8 1 0 5 9 1 0 5 10 1 0 5 11 1 0 5 12 1 0 M CHG 2 4 -1 5 1 M END > Collection (C) 2016 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. > 2013-11-12 > 631-61-8 > Acetic acid, ammonium salt (1:1) Acetic acid, ammonium salt 1Beem Ammonium acetate > B3LYP/6-31G* > 2.0311 debye > -285.653276039 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 72.5183 5.4065 91.5210 6.4494 148.1959 26.9454 164.5134 0.1426 245.3217 25.9606 317.1474 21.8173 431.0977 66.2759 489.7134 38.0532 600.1146 1.1502 640.8113 28.8053 898.2680 4.9334 1032.1848 21.9699 1078.3466 0.6313 1093.6438 127.2429 1170.9023 230.3995 1330.9998 256.1922 1421.2391 64.9225 1497.8008 10.5210 1507.0063 7.3040 1521.4805 21.6894 1699.0741 36.9241 1733.8457 20.3774 1808.5985 262.8939 2990.3165 1357.5408 3069.6652 5.8406 3131.0445 8.9283 3180.1750 9.4411 3437.3377 33.5183 3566.0043 34.5704 3594.5230 5.2100 > 10.68949 GHz 2.52491 GHz 2.09194 GHz > Gaussian 09, Revision D.01 > Katherine Hafner $$$$