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	hartrees
Energy at 0K	-229.091479
Energy at 298.15K	-229.096295
Nuclear repulsion energy	120.807909

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3755	3607	43.97
2	A'	3186	3061	5.61
3	A'	3068	2948	1.85
4	A'	1855	1782	285.71
5	A'	1484	1426	12.82
6	A'	1422	1366	65.53
7	A'	1356	1303	25.30
8	A'	1218	1170	210.30
9	A'	1002	963	56.49
10	A'	866	832	2.75
11	A'	582	559	42.55
12	A'	419	403	4.36
13	A"	3134	3011	5.24
14	A"	1490	1432	8.28
15	A"	1070	1028	9.16
16	A"	684	657	107.75
17	A"	544	522	19.30
18	A"	78	75	0.60

Atom	x (Å)	y (Å)	z (Å)
C1	1.059	-0.917	0.000
C2	0.000	0.155	0.000
O3	0.194	1.350	0.000
H4	2.045	-0.455	0.000
H5	0.944	-1.555	0.881
H6	0.944	-1.555	-0.881
O7	-1.248	-0.380	0.000
H8	-1.861	0.375	0.000

	C1	C2	O3	H4	H5	H6	O7	H8
C1		1.5075	2.4267	1.0890	1.0939	1.0939	2.3686	3.1933
C2	1.5075		1.2103	2.1343	2.1433	2.1433	1.3574	1.8741
O3	2.4267	1.2103		2.5854	3.1272	3.1272	2.2517	2.2752
H4	1.0890	2.1343	2.5854		1.7888	1.7888	3.2936	3.9935
H5	1.0939	2.1433	3.1272	1.7888		1.7621	2.6384	3.5169
H6	1.0939	2.1433	3.1272	1.7888	1.7621		2.6384	3.5169
O7	2.3686	1.3574	2.2517	3.2936	2.6384	2.6384		0.9722
H8	3.1933	1.8741	2.2752	3.9935	3.5169	3.5169	0.9722

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	126.127	C1	C2	O7	111.426
C2	C1	H4	109.519	C2	C1	H5	109.937
C2	C1	H6	109.937	C2	O7	H8	105.930
O3	C2	O7	122.447	H4	C1	H5	110.059
H4	C1	H6	110.059	H5	C1	H6	107.304

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

using model chemistry: B3LYP/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	-0.376
2	C	0.546
3	O	-0.454
4	H	0.145
5	H	0.145
6	H	0.145
7	O	-0.474
8	H	0.322

	x	y	z	Total
	-0.406	-1.555	0.000	1.608
CHELPG
AIM
ESP

	x	y	z
x	4.475	-0.126	0.000
y	-0.126	4.602	0.000
z	0.000	0.000	2.808

<r²>	70.956
(<r²>)^1/2	8.424

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

using model chemistry: B3LYP/6-31G**

States and conformations

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