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	hartrees
Energy at 0K	-229.146084
Energy at 298.15K	-229.150914
Nuclear repulsion energy	121.074352

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3728	3603	30.77
2	A'	3165	3059	8.99
3	A'	3057	2954	2.97
4	A'	1841	1779	317.27
5	A'	1490	1440	17.46
6	A'	1421	1373	55.47
7	A'	1355	1309	12.40
8	A'	1224	1182	241.14
9	A'	1004	971	70.81
10	A'	862	833	3.43
11	A'	589	569	42.44
12	A'	422	408	4.22
13	A"	3115	3010	8.30
14	A"	1493	1442	10.88
15	A"	1078	1041	8.76
16	A"	698	675	122.27
17	A"	552	533	20.84
18	A"	72	70	0.59

Atom	x (Å)	y (Å)	z (Å)
C1	1.066	-0.905	0.000
C2	0.000	0.158	0.000
O3	0.179	1.348	0.000
H4	2.048	-0.438	0.000
H5	0.959	-1.544	0.879
H6	0.959	-1.544	-0.879
O7	-1.241	-0.390	0.000
H8	-1.874	0.344	0.000

	C1	C2	O3	H4	H5	H6	O7	H8
C1		1.5056	2.4211	1.0875	1.0924	1.0924	2.3638	3.1943
C2	1.5056		1.2033	2.1333	2.1426	2.1426	1.3565	1.8829
O3	2.4211	1.2033		2.5849	3.1218	3.1218	2.2445	2.2853
H4	1.0875	2.1333	2.5849		1.7844	1.7844	3.2895	3.9993
H5	1.0924	2.1426	3.1218	1.7844		1.7583	2.6352	3.5162
H6	1.0924	2.1426	3.1218	1.7844	1.7583		2.6352	3.5162
O7	2.3638	1.3565	2.2445	3.2895	2.6352	2.6352		0.9694
H8	3.1943	1.8829	2.2853	3.9993	3.5162	3.5162	0.9694

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	126.332	C1	C2	O7	111.253
C2	C1	H4	109.654	C2	C1	H5	110.102
C2	C1	H6	110.102	C2	O7	H8	106.919
O3	C2	O7	122.414	H4	C1	H5	109.886
H4	C1	H6	109.886	H5	C1	H6	107.178

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

using model chemistry: B3LYP/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	ESP
1	C	-0.675	-0.472
2	C	0.384	0.778
3	O	-0.329	-0.545
4	H	0.241	0.131
5	H	0.240	0.149
6	H	0.240	0.149
7	O	-0.493	-0.615
8	H	0.393	0.425

	x	y	z	Total
	-0.408	-1.483	0.000	1.538
CHELPG
AIM
ESP	-0.388	-1.521	0.000	1.570

	x	y	z
x	4.688	-0.154	0.000
y	-0.154	4.759	0.000
z	0.000	0.000	2.960

<r²>	71.050
(<r²>)^1/2	8.429

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

using model chemistry: B3LYP/6-311G*

States and conformations

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