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	hartrees
Energy at 0K	-45.034251
Energy at 298.15K	-45.038979
HF Energy	-44.607287
Nuclear repulsion energy	65.657886

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3579	3493	35.31
2	A'	3143	3068	9.95
3	A'	3007	2934	5.54
4	A'	1659	1619	187.79
5	A'	1512	1476	26.82
6	A'	1457	1422	26.31
7	A'	1312	1281	59.93
8	A'	1168	1140	143.80
9	A'	998	974	152.20
10	A'	808	789	33.17
11	A'	537	524	38.11
12	A'	403	394	5.56
13	A"	3112	3037	10.27
14	A"	1500	1464	12.83
15	A"	1095	1069	2.97
16	A"	621	606	170.77
17	A"	524	511	19.30
18	A"	76	75	0.91

Atom	x (Å)	y (Å)	z (Å)
C1	1.195	-0.794	0.000
C2	0.000	0.158	0.000
O3	0.026	1.420	0.000
H4	2.119	-0.203	0.000
H5	1.155	-1.438	0.891
H6	1.155	-1.438	-0.891
O7	-1.227	-0.566	0.000
H8	-1.992	0.061	0.000

	C1	C2	O3	H4	H5	H6	O7	H8
C1		1.5280	2.5033	1.0967	1.1000	1.1000	2.4330	3.2995
C2	1.5280		1.2618	2.1500	2.1621	2.1621	1.4253	1.9942
O3	2.5033	1.2618		2.6488	3.1990	3.1990	2.3487	2.4330
H4	1.0967	2.1500	2.6488		1.8022	1.8022	3.3662	4.1196
H5	1.1000	2.1621	3.1990	1.8022		1.7814	2.6882	3.5972
H6	1.1000	2.1621	3.1990	1.8022	1.7814		2.6882	3.5972
O7	2.4330	1.4253	2.3487	3.3662	2.6882	2.6882		0.9889
H8	3.2995	1.9942	2.4330	4.1196	3.5972	3.5972	0.9889

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	127.352	C1	C2	O7	110.893
C2	C1	H4	108.888	C2	C1	H5	109.644
C2	C1	H6	109.644	C2	O7	H8	110.072
O3	C2	O7	121.755	H4	C1	H5	110.257
H4	C1	H6	110.257	H5	C1	H6	108.140

All results from a given calculation for CH₃COOH (Acetic acid)

using model chemistry: MP2/CEP-121G

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for CH3COOH (Acetic acid)

using model chemistry: MP2/CEP-121G

States and conformations

All results from a given calculation for CH₃COOH (Acetic acid)