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	hartrees
Energy at 0K	-228.596694
Energy at 298.15K	-228.601563
HF Energy	-227.863816
Nuclear repulsion energy	121.148134

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3780	3580	49.00
2	A'	3234	3063	4.08
3	A'	3109	2944	1.74
4	A'	1854	1756	262.73
5	A'	1514	1434	16.76
6	A'	1452	1375	76.27
7	A'	1378	1305	17.68
8	A'	1248	1182	241.58
9	A'	1027	973	60.90
10	A'	887	840	3.77
11	A'	596	564	44.41
12	A'	430	407	4.14
13	A"	3193	3024	3.62
14	A"	1515	1435	12.21
15	A"	1093	1035	7.77
16	A"	697	660	125.09
17	A"	559	529	25.25
18	A"	75	71	0.76

Atom	x (Å)	y (Å)	z (Å)
C1	1.063	-0.904	0.000
C2	0.000	0.157	0.000
O3	0.180	1.352	0.000
H4	2.043	-0.434	0.000
H5	0.951	-1.539	0.880
H6	0.951	-1.539	-0.880
O7	-1.237	-0.395	0.000
H8	-1.865	0.340	0.000

	C1	C2	O3	H4	H5	H6	O7	H8
C1		1.5015	2.4220	1.0870	1.0910	1.0910	2.3548	3.1806
C2	1.5015		1.2079	2.1267	2.1343	2.1343	1.3543	1.8737
O3	2.4220	1.2079		2.5807	3.1184	3.1184	2.2488	2.2811
H4	1.0870	2.1267	2.5807		1.7854	1.7854	3.2797	3.9836
H5	1.0910	2.1343	3.1184	1.7854		1.7598	2.6207	3.4975
H6	1.0910	2.1343	3.1184	1.7854	1.7598		2.6207	3.4975
O7	2.3548	1.3543	2.2488	3.2797	2.6207	2.6207		0.9669
H8	3.1806	1.8737	2.2811	3.9836	3.4975	3.4975	0.9669

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	126.399	C1	C2	O7	110.982
C2	C1	H4	109.447	C2	C1	H5	109.813
C2	C1	H6	109.813	C2	O7	H8	106.453
O3	C2	O7	122.620	H4	C1	H5	110.115
H4	C1	H6	110.115	H5	C1	H6	107.514

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

using model chemistry: MP2=FULL/6-311G*

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=FULL/6-311G*

States and conformations

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