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	hartrees
Energy at 0K	-228.831982
Energy at 298.15K	-228.836699
Nuclear repulsion energy	120.077340

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3632	3582	28.96
2	A'	3132	3090	4.03
3	A'	3007	2966	1.47
4	A'	1799	1775	252.53
5	A'	1435	1415	13.45
6	A'	1369	1350	72.37
7	A'	1309	1291	13.34
8	A'	1174	1158	194.84
9	A'	961	948	51.31
10	A'	846	835	3.02
11	A'	562	554	38.91
12	A'	406	401	4.57
13	A"	3080	3038	3.48
14	A"	1439	1420	9.43
15	A"	1026	1012	8.57
16	A"	679	670	97.71
17	A"	528	521	15.73
18	A"	64	63	0.77

Atom	x (Å)	y (Å)	z (Å)
C1	1.068	-0.912	0.000
C2	0.000	0.156	0.000
O3	0.186	1.362	0.000
H4	2.057	-0.439	0.000
H5	0.959	-1.557	0.886
H6	0.959	-1.557	-0.886
O7	-1.251	-0.397	0.000
H8	-1.861	0.372	0.000

	C1	C2	O3	H4	H5	H6	O7	H8
C1		1.5103	2.4394	1.0963	1.1014	1.1014	2.3758	3.1981
C2	1.5103		1.2207	2.1417	2.1534	2.1534	1.3678	1.8731
O3	2.4394	1.2207		2.5978	3.1469	3.1469	2.2714	2.2730
H4	1.0963	2.1417	2.5978		1.8004	1.8004	3.3088	4.0012
H5	1.1014	2.1534	3.1469	1.8004		1.7724	2.6483	3.5292
H6	1.1014	2.1534	3.1469	1.8004	1.7724		2.6483	3.5292
O7	2.3758	1.3678	2.2714	3.3088	2.6483	2.6483		0.9817
H8	3.1981	1.8731	2.2730	4.0012	3.5292	3.5292	0.9817

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	126.236	C1	C2	O7	111.177
C2	C1	H4	109.474	C2	C1	H5	110.091
C2	C1	H6	110.091	C2	O7	H8	104.537
O3	C2	O7	122.587	H4	C1	H5	110.008
H4	C1	H6	110.008	H5	C1	H6	107.144

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

using model chemistry: PBEPBE/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	-0.427
2	C	0.492
3	O	-0.422
4	H	0.159
5	H	0.161
6	H	0.161
7	O	-0.439
8	H	0.316

	x	y	z	Total
	-0.402	-1.498	0.000	1.551
CHELPG
AIM
ESP

	x	y	z
x	4.723	-0.167	0.000
y	-0.167	4.775	0.000
z	0.000	0.000	2.869

<r²>	71.514
(<r²>)^1/2	8.457

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

using model chemistry: PBEPBE/6-31G**

States and conformations

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