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	hartrees
Energy at 0K	-228.433979
Energy at 298.15K	-228.438858
HF Energy	-227.807062
Nuclear repulsion energy	120.692265

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3696	3483	64.45
2	A'	3257	3069	3.04
3	A'	3132	2951	0.94
4	A'	1862	1754	235.84
5	A'	1537	1449	14.21
6	A'	1469	1385	68.32
7	A'	1388	1308	38.73
8	A'	1240	1168	204.55
9	A'	1035	976	64.38
10	A'	888	837	3.24
11	A'	586	552	44.49
12	A'	428	403	4.44
13	A"	3218	3032	2.28
14	A"	1539	1450	9.74
15	A"	1104	1040	7.64
16	A"	695	655	123.06
17	A"	558	526	20.33
18	A"	92	86	0.57

Atom	x (Å)	y (Å)	z (Å)
C1	0.999	-0.975	0.000
C2	0.000	0.145	0.000
O3	0.282	1.335	0.000
H4	1.985	-0.520	0.000
H5	0.874	-1.607	0.883
H6	0.874	-1.607	-0.883
O7	-1.273	-0.309	0.000
H8	-1.807	0.508	0.000

	C1	C2	O3	H4	H5	H6	O7	H8
C1		1.5006	2.4185	1.0856	1.0932	1.0932	2.3674	3.1734
C2	1.5006		1.2233	2.0931	2.1478	2.1478	1.3510	1.8426
O3	2.4185	1.2233		2.5177	3.1284	3.1284	2.2627	2.2465
H4	1.0856	2.0931	2.5177		1.7877	1.7877	3.2642	3.9282
H5	1.0932	2.1478	3.1284	1.7877		1.7655	2.6597	3.5270
H6	1.0932	2.1478	3.1284	1.7877	1.7655		2.6597	3.5270
O7	2.3674	1.3510	2.2627	3.2642	2.6597	2.6597		0.9759
H8	3.1734	1.8426	2.2465	3.9282	3.5270	3.5270	0.9759

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	124.910	C1	C2	O7	112.135
C2	C1	H4	106.965	C2	C1	H5	110.824
C2	C1	H6	110.824	C2	O7	H8	103.553
O3	C2	O7	122.956	H4	C1	H5	110.268
H4	C1	H6	110.268	H5	C1	H6	107.713

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

using model chemistry: MP2=FULL/6-31G*

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/6-31G*

States and conformations

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