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	hartrees
Energy at 0K	-229.042701
Energy at 298.15K	-229.047521
Nuclear repulsion energy	121.276432

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3822	3638	69.57
2	A'	3220	3065	2.80
3	A'	3093	2944	1.30
4	A'	1860	1771	369.62
5	A'	1477	1406	16.01
6	A'	1426	1357	97.40
7	A'	1352	1287	43.46
8	A'	1224	1165	205.49
9	A'	1009	960	50.26
10	A'	884	842	2.97
11	A'	588	560	43.18
12	A'	424	404	4.85
13	A"	3170	3017	2.15
14	A"	1484	1413	12.09
15	A"	1070	1018	8.89
16	A"	678	645	109.10
17	A"	551	524	27.20
18	A"	69	66	0.35

Atom	x (Å)	y (Å)	z (Å)
C1	1.055	-0.913	0.000
C2	0.000	0.151	0.000
O3	0.194	1.344	0.000
H4	2.039	-0.450	0.000
H5	0.940	-1.549	0.880
H6	0.940	-1.549	-0.880
O7	-1.242	-0.376	0.000
H8	-1.863	0.367	0.000

	C1	C2	O3	H4	H5	H6	O7	H8
C1		1.4986	2.4157	1.0875	1.0924	1.0924	2.3595	3.1865
C2	1.4986		1.2085	2.1260	2.1331	2.1331	1.3493	1.8753
O3	2.4157	1.2085		2.5737	3.1151	3.1151	2.2404	2.2767
H4	1.0875	2.1260	2.5737		1.7868	1.7868	3.2824	3.9868
H5	1.0924	2.1331	3.1151	1.7868		1.7602	2.6294	3.5076
H6	1.0924	2.1331	3.1151	1.7868	1.7602		2.6294	3.5076
O7	2.3595	1.3493	2.2404	3.2824	2.6294	2.6294		0.9680
H8	3.1865	1.8753	2.2767	3.9868	3.5076	3.5076	0.9680

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	126.012	C1	C2	O7	111.782
C2	C1	H4	109.565	C2	C1	H5	109.841
C2	C1	H6	109.841	C2	O7	H8	106.889
O3	C2	O7	122.206	H4	C1	H5	110.108
H4	C1	H6	110.108	H5	C1	H6	107.350

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

using model chemistry: mPW1PW91/6-31+G**

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	-0.500
2	C	0.395
3	O	-0.451
4	H	0.204
5	H	0.204
6	H	0.204
7	O	-0.427
8	H	0.372

	x	y	z	Total
	-0.329	-1.777	0.000	1.807
CHELPG
AIM
ESP

<r²>	70.902
(<r²>)^1/2	8.420

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

using model chemistry: mPW1PW91/6-31+G**

States and conformations

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