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	hartrees
Energy at 0K	-229.055175
Energy at 298.15K	-229.060008
Nuclear repulsion energy	121.358453

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3756	3616	34.43
2	A'	3182	3064	7.26
3	A'	3066	2952	2.34
4	A'	1858	1789	326.87
5	A'	1484	1429	17.90
6	A'	1421	1368	76.51
7	A'	1355	1304	11.80
8	A'	1232	1186	242.18
9	A'	1004	967	57.73
10	A'	874	842	3.35
11	A'	591	569	43.97
12	A'	422	406	4.51
13	A"	3132	3016	6.36
14	A"	1487	1432	11.92
15	A"	1073	1033	10.27
16	A"	702	676	123.08
17	A"	554	533	21.84
18	A"	70	67	0.62

Atom	x (Å)	y (Å)	z (Å)
C1	1.060	-0.906	0.000
C2	0.000	0.156	0.000
O3	0.183	1.345	0.000
H4	2.044	-0.442	0.000
H5	0.950	-1.545	0.879
H6	0.950	-1.545	-0.879
O7	-1.238	-0.385	0.000
H8	-1.865	0.352	0.000

	C1	C2	O3	H4	H5	H6	O7	H8
C1		1.5004	2.4151	1.0878	1.0927	1.0927	2.3562	3.1838
C2	1.5004		1.2024	2.1294	2.1381	2.1381	1.3512	1.8751
O3	2.4151	1.2024		2.5793	3.1166	3.1166	2.2387	2.2757
H4	1.0878	2.1294	2.5793		1.7850	1.7850	3.2823	3.9884
H5	1.0927	2.1381	3.1166	1.7850		1.7583	2.6284	3.5070
H6	1.0927	2.1381	3.1166	1.7850	1.7583		2.6284	3.5070
O7	2.3562	1.3512	2.2387	3.2823	2.6284	2.6284		0.9677
H8	3.1838	1.8751	2.2757	3.9884	3.5070	3.5070	0.9677

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	126.292	C1	C2	O7	111.329
C2	C1	H4	109.690	C2	C1	H5	110.088
C2	C1	H6	110.088	C2	O7	H8	106.747
O3	C2	O7	122.379	H4	C1	H5	109.898
H4	C1	H6	109.898	H5	C1	H6	107.146

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

using model chemistry: B3PW91/6-311G*

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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Number	Element	Mulliken
1	C	-0.719
2	C	0.396
3	O	-0.342
4	H	0.256
5	H	0.254
6	H	0.254
7	O	-0.501
8	H	0.403

	x	y	z	Total
	-0.432	-1.505	0.000	1.566
CHELPG
AIM
ESP

<r²>	70.633
(<r²>)^1/2	8.404

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

using model chemistry: B3PW91/6-311G*

States and conformations

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