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	hartrees
Energy at 0K	-44.606611
Energy at 298.15K	-44.611596
Nuclear repulsion energy	67.260269

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	4046	3647	92.15
2	A'	3379	3045	23.54
3	A'	3254	2933	8.95
4	A'	1873	1689	386.62
5	A'	1611	1452	25.72
6	A'	1571	1416	44.82
7	A'	1457	1313	109.90
8	A'	1289	1162	199.50
9	A'	1116	1006	101.29
10	A'	921	830	4.67
11	A'	602	543	68.35
12	A'	436	393	5.91
13	A"	3338	3009	24.06
14	A"	1614	1455	15.49
15	A"	1199	1081	14.06
16	A"	683	616	208.47
17	A"	577	520	56.14
18	A"	109	99	0.29

Atom	x (Å)	y (Å)	z (Å)
C1	1.125	-0.840	0.000
C2	0.000	0.170	0.000
O3	0.115	1.390	0.000
H4	2.076	-0.322	0.000
H5	1.042	-1.475	0.879
H6	1.042	-1.475	-0.879
O7	-1.231	-0.429	0.000
H8	-1.963	0.192	0.000

	C1	C2	O3	H4	H5	H6	O7	H8
C1		1.5122	2.4480	1.0832	1.0872	1.0872	2.3920	3.2561
C2	1.5122		1.2249	2.1340	2.1361	2.1361	1.3695	1.9630
O3	2.4480	1.2249		2.6033	3.1361	3.1361	2.2630	2.3982
H4	1.0832	2.1340	2.6033		1.7808	1.7808	3.3094	4.0719
H5	1.0872	2.1361	3.1361	1.7808		1.7579	2.6517	3.5467
H6	1.0872	2.1361	3.1361	1.7808	1.7579		2.6517	3.5467
O7	2.3920	1.3695	2.2630	3.3094	2.6517	2.6517		0.9601
H8	3.2561	1.9630	2.3982	4.0719	3.5467	3.5467	0.9601

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	126.532	C1	C2	O7	112.118
C2	C1	H4	109.504	C2	C1	H5	109.434
C2	C1	H6	109.434	C2	O7	H8	113.683
O3	C2	O7	121.350	H4	C1	H5	110.276
H4	C1	H6	110.276	H5	C1	H6	107.890

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

using model chemistry: HF/CEP-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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Number	Element	Mulliken
1	C	-0.227
2	C	0.089
3	O	-0.244
4	H	0.153
5	H	0.139
6	H	0.139
7	O	-0.478
8	H	0.430

	x	y	z	Total
	-0.141	-2.096	0.000	2.100
CHELPG
AIM
ESP

	x	y	z
x	3.813	-0.043	0.000
y	-0.043	4.411	0.000
z	0.000	0.000	2.551

<r²>	61.360
(<r²>)^1/2	7.833

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

using model chemistry: HF/CEP-31G

States and conformations

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