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	hartrees
Energy at 0K	-228.884717
Energy at 298.15K	-228.889450
Nuclear repulsion energy	120.344659

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3596	3558	17.53
2	A'	3111	3078	7.14
3	A'	2995	2964	2.61
4	A'	1786	1768	281.56
5	A'	1442	1427	18.14
6	A'	1369	1355	60.16
7	A'	1311	1297	6.69
8	A'	1180	1168	221.50
9	A'	964	954	64.18
10	A'	844	835	3.88
11	A'	570	564	38.59
12	A'	409	405	4.37
13	A"	3059	3027	6.31
14	A"	1443	1428	12.14
15	A"	1034	1023	7.92
16	A"	692	684	111.17
17	A"	535	530	17.42
18	A"	58	57	0.76

Atom	x (Å)	y (Å)	z (Å)
C1	1.076	-0.898	0.000
C2	0.000	0.158	0.000
O3	0.169	1.360	0.000
H4	2.061	-0.419	0.000
H5	0.975	-1.544	0.884
H6	0.975	-1.544	-0.884
O7	-1.243	-0.409	0.000
H8	-1.875	0.339	0.000

	C1	C2	O3	H4	H5	H6	O7	H8
C1		1.5074	2.4331	1.0950	1.1001	1.1001	2.3704	3.1999
C2	1.5074		1.2141	2.1400	2.1519	2.1519	1.3667	1.8838
O3	2.4331	1.2141		2.5966	3.1412	3.1412	2.2643	2.2850
H4	1.0950	2.1400	2.5966		1.7965	1.7965	3.3043	4.0082
H5	1.1001	2.1519	3.1412	1.7965		1.7688	2.6444	3.5290
H6	1.1001	2.1519	3.1412	1.7965	1.7688		2.6444	3.5290
O7	2.3704	1.3667	2.2643	3.3043	2.6444	2.6444		0.9795
H8	3.1999	1.8838	2.2850	4.0082	3.5290	3.5290	0.9795

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	126.434	C1	C2	O7	111.028
C2	C1	H4	109.613	C2	C1	H5	110.248
C2	C1	H6	110.248	C2	O7	H8	105.629
O3	C2	O7	122.538	H4	C1	H5	109.845
H4	C1	H6	109.845	H5	C1	H6	107.007

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

using model chemistry: PBEPBE/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	-0.705
2	C	0.339
3	O	-0.300
4	H	0.248
5	H	0.248
6	H	0.248
7	O	-0.459
8	H	0.381

	x	y	z	Total
	-0.405	-1.430	0.000	1.487
CHELPG
AIM
ESP

	x	y	z
x	4.990	-0.201	0.000
y	-0.201	4.955	0.000
z	0.000	0.000	3.039

<r²>	71.607
(<r²>)^1/2	8.462

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

using model chemistry: PBEPBE/6-311G*

States and conformations

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