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	hartrees
Energy at 0K	-228.848980
Energy at 298.15K	-228.853814
Nuclear repulsion energy	121.258771

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3744	3560	51.50
2	A'	3221	3063	4.10
3	A'	3096	2944	1.23
4	A'	1892	1799	302.76
5	A'	1497	1424	14.75
6	A'	1443	1372	91.51
7	A'	1373	1306	18.76
8	A'	1243	1182	214.64
9	A'	1014	964	44.53
10	A'	888	844	2.89
11	A'	589	560	45.42
12	A'	422	401	4.54
13	A"	3169	3014	3.28
14	A"	1501	1428	10.21
15	A"	1079	1026	11.09
16	A"	698	664	113.70
17	A"	552	525	19.56
18	A"	77	73	0.65

Atom	x (Å)	y (Å)	z (Å)
C1	1.050	-0.918	0.000
C2	0.000	0.154	0.000
O3	0.199	1.344	0.000
H4	2.039	-0.461	0.000
H5	0.932	-1.557	0.881
H6	0.932	-1.557	-0.881
O7	-1.242	-0.373	0.000
H8	-1.851	0.386	0.000

	C1	C2	O3	H4	H5	H6	O7	H8
C1		1.5007	2.4175	1.0895	1.0943	1.0943	2.3560	3.1805
C2	1.5007		1.2067	2.1294	2.1381	2.1381	1.3494	1.8657
O3	2.4175	1.2067		2.5779	3.1193	3.1193	2.2417	2.2633
H4	1.0895	2.1294	2.5779		1.7890	1.7890	3.2821	3.9810
H5	1.0943	2.1381	3.1193	1.7890		1.7622	2.6278	3.5064
H6	1.0943	2.1381	3.1193	1.7890	1.7622		2.6278	3.5064
O7	2.3560	1.3494	2.2417	3.2821	2.6278	2.6278		0.9725
H8	3.1805	1.8657	2.2633	3.9810	3.5064	3.5064	0.9725

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	126.141	C1	C2	O7	111.395
C2	C1	H4	109.572	C2	C1	H5	109.975
C2	C1	H6	109.975	C2	O7	H8	105.786
O3	C2	O7	122.464	H4	C1	H5	110.017
H4	C1	H6	110.017	H5	C1	H6	107.255

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

using model chemistry: HSEh1PBE/6-31G*

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	-0.597
2	C	0.563
3	O	-0.457
4	H	0.212
5	H	0.211
6	H	0.211
7	O	-0.569
8	H	0.424

	x	y	z	Total
	-0.442	-1.547	0.000	1.608
CHELPG
AIM
ESP

	x	y	z
x	4.362	-0.102	0.000
y	-0.102	4.552	0.000
z	0.000	0.000	2.774

<r²>	70.479
(<r²>)^1/2	8.395

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

using model chemistry: HSEh1PBE/6-31G*

States and conformations

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