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	hartrees
Energy at 0K	-229.045516
Energy at 298.15K	-229.050197
Nuclear repulsion energy	119.432734

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3597	3578	38.30
2	A'	3100	3084	5.22
3	A'	2987	2971	3.02
4	A'	1736	1727	320.75
5	A'	1440	1432	17.98
6	A'	1365	1358	33.40
7	A'	1282	1275	38.25
8	A'	1152	1146	196.98
9	A'	961	956	89.39
10	A'	820	816	5.90
11	A'	556	553	33.17
12	A'	409	407	4.81
13	A"	3046	3030	4.75
14	A"	1446	1438	11.05
15	A"	1032	1026	5.43
16	A"	650	646	100.19
17	A"	528	525	21.78
18	A"	57	57	0.40

Atom	x (Å)	y (Å)	z (Å)
C1	1.097	-0.892	0.000
C2	0.000	0.156	0.000
O3	0.157	1.371	0.000
H4	2.076	-0.398	0.000
H5	1.001	-1.538	0.887
H6	1.001	-1.538	-0.887
O7	-1.252	-0.424	0.000
H8	-1.900	0.315	0.000

	C1	C2	O3	H4	H5	H6	O7	H8
C1		1.5172	2.4509	1.0963	1.1016	1.1016	2.3950	3.2312
C2	1.5172		1.2254	2.1489	2.1584	2.1584	1.3798	1.9067
O3	2.4509	1.2254		2.6109	3.1566	3.1566	2.2822	2.3119
H4	1.0963	2.1489	2.6109		1.8003	1.8003	3.3280	4.0397
H5	1.1016	2.1584	3.1566	1.8003		1.7742	2.6650	3.5550
H6	1.1016	2.1584	3.1566	1.8003	1.7742		2.6650	3.5550
O7	2.3950	1.3798	2.2822	3.3280	2.6650	2.6650		0.9836
H8	3.2312	1.9067	2.3119	4.0397	3.5550	3.5550	0.9836

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	126.342	C1	C2	O7	111.440
C2	C1	H4	109.563	C2	C1	H5	109.999
C2	C1	H6	109.999	C2	O7	H8	106.351
O3	C2	O7	122.218	H4	C1	H5	109.991
H4	C1	H6	109.991	H5	C1	H6	107.272

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

using model chemistry: BLYP/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	-0.450
2	C	0.393
3	O	-0.431
4	H	0.179
5	H	0.180
6	H	0.180
7	O	-0.401
8	H	0.350

	x	y	z	Total
	-0.196	-1.720	0.000	1.732
CHELPG
AIM
ESP

<r²>	72.943
(<r²>)^1/2	8.541

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

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

States and conformations

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