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	hartrees
Energy at 0K	-227.908633
Energy at 298.15K	-227.913663
HF Energy	-227.908633
Nuclear repulsion energy	122.774982

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	4096	3706	112.23
2	A'	3297	2982	9.84
3	A'	3188	2884	3.44
4	A'	1992	1802	459.87
5	A'	1586	1435	14.56
6	A'	1546	1399	71.61
7	A'	1456	1317	50.61
8	A'	1332	1205	234.73
9	A'	1100	995	61.52
10	A'	928	839	1.81
11	A'	639	578	50.71
12	A'	454	410	4.62
13	A"	3247	2937	9.27
14	A"	1597	1444	7.19
15	A"	1174	1062	10.83
16	A"	708	640	99.49
17	A"	582	527	44.71
18	A"	101	91	0.05

Atom	x (Å)	y (Å)	z (Å)
C1	1.022	-0.943	0.000
C2	0.000	0.155	0.000
O3	0.235	1.314	0.000
H4	2.011	-0.518	0.000
H5	0.881	-1.566	0.874
H6	0.881	-1.566	-0.874
O7	-1.242	-0.318	0.000
H8	-1.844	0.411	0.000

	C1	C2	O3	H4	H5	H6	O7	H8
C1		1.4999	2.3901	1.0774	1.0824	1.0824	2.3482	3.1695
C2	1.4999		1.1821	2.1208	2.1218	2.1218	1.3291	1.8617
O3	2.3901	1.1821		2.5515	3.0780	3.0780	2.2008	2.2663
H4	1.0774	2.1208	2.5515		1.7721	1.7721	3.2594	3.9656
H5	1.0824	2.1218	3.0780	1.7721		1.7481	2.6130	3.4783
H6	1.0824	2.1218	3.0780	1.7721	1.7481		2.6130	3.4783
O7	2.3482	1.3291	2.2008	3.2594	2.6130	2.6130		0.9456
H8	3.1695	1.8617	2.2663	3.9656	3.4783	3.4783	0.9456

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	125.624	C1	C2	O7	112.063
C2	C1	H4	109.659	C2	C1	H5	109.445
C2	C1	H6	109.445	C2	O7	H8	108.684
O3	C2	O7	122.313	H4	C1	H5	110.274
H4	C1	H6	110.274	H5	C1	H6	107.712

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

using model chemistry: HF/daug-cc-pVTZ

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	-0.873
2	C	1.075
3	O	-1.155
4	H	0.661
5	H	0.478
6	H	0.478
7	O	-0.965
8	H	0.301

	x	y	z	Total
	-0.411	-1.914	0.000	1.958
CHELPG
AIM
ESP

	x	y	z
x	4.818	-0.098	0.000
y	-0.098	5.104	0.000
z	0.000	0.000	3.642

<r²>	69.732
(<r²>)^1/2	8.351

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

using model chemistry: HF/daug-cc-pVTZ

States and conformations

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