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	hartrees
Energy at 0K	-44.728520
Energy at 298.15K	-44.733508
Nuclear repulsion energy	68.267603

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	4084	3690	90.93
2	A'	3334	3012	16.17
3	A'	3218	2907	6.76
4	A'	1985	1793	478.52
5	A'	1603	1449	13.95
6	A'	1558	1407	67.62
7	A'	1459	1318	37.92
8	A'	1348	1218	269.18
9	A'	1101	995	64.13
10	A'	923	833	1.44
11	A'	629	568	56.73
12	A'	444	401	4.06
13	A"	3289	2971	17.23
14	A"	1608	1453	7.63
15	A"	1172	1059	8.62
16	A"	711	642	139.37
17	A"	581	525	35.45
18	A"	86	78	0.13

Atom	x (Å)	y (Å)	z (Å)
C1	1.044	-0.922	0.000
C2	0.000	0.173	0.000
O3	0.217	1.347	0.000
H4	2.029	-0.478	0.000
H5	0.913	-1.547	0.877
H6	0.913	-1.547	-0.877
O7	-1.247	-0.321	0.000
H8	-1.852	0.414	0.000

	C1	C2	O3	H4	H5	H6	O7	H8
C1		1.5130	2.4147	1.0806	1.0850	1.0850	2.3686	3.1892
C2	1.5130		1.1935	2.1313	2.1361	2.1361	1.3416	1.8675
O3	2.4147	1.1935		2.5718	3.1029	3.1029	2.2195	2.2694
H4	1.0806	2.1313	2.5718		1.7767	1.7767	3.2802	3.9824
H5	1.0850	2.1361	3.1029	1.7767		1.7544	2.6345	3.5018
H6	1.0850	2.1361	3.1029	1.7767	1.7544		2.6345	3.5018
O7	2.3686	1.3416	2.2195	3.2802	2.6345	2.6345		0.9520
H8	3.1892	1.8675	2.2694	3.9824	3.5018	3.5018	0.9520

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	125.887	C1	C2	O7	112.009
C2	C1	H4	109.385	C2	C1	H5	109.508
C2	C1	H6	109.508	C2	O7	H8	107.810
O3	C2	O7	122.104	H4	C1	H5	110.259
H4	C1	H6	110.259	H5	C1	H6	107.899

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

using model chemistry: HF/CEP-121G*

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	-0.586
2	C	0.500
3	O	-0.419
4	H	0.205
5	H	0.192
6	H	0.192
7	O	-0.552
8	H	0.468

	x	y	z	Total
	-0.392	-1.822	0.000	1.864
CHELPG
AIM
ESP

	x	y	z
x	4.146	-0.016	0.000
y	-0.016	4.563	0.000
z	0.000	0.000	3.060

<r²>	59.676
(<r²>)^1/2	7.725

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

using model chemistry: HF/CEP-121G*

States and conformations

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