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	hartrees
Energy at 0K	-228.947705
Energy at 298.15K	-228.952425
HF Energy	-228.947705
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3598	3527	26.81
2	A'	3137	3075	8.70
3	A'	3016	2957	3.61
4	A'	1805	1770	263.79
5	A'	1474	1445	14.20
6	A'	1397	1370	43.52
7	A'	1330	1304	20.23
8	A'	1189	1166	204.26
9	A'	981	962	69.71
10	A'	840	824	3.02
11	A'	567	556	36.85
12	A'	413	405	4.42
13	A"	3083	3022	7.79
14	A"	1477	1448	8.36
15	A"	1052	1031	8.03
16	A"	681	668	104.65
17	A"	534	523	16.32
18	A"	56	55	0.67

Atom	x (Å)	y (Å)	z (Å)
C1	1.074	-0.908	0.000
C2	0.000	0.159	0.000
O3	0.179	1.362	0.000
H4	2.059	-0.434	0.000
H5	0.966	-1.550	0.885
H6	0.966	-1.550	-0.885
O7	-1.249	-0.403	0.000
H8	-1.871	0.355	0.000

	C1	C2	O3	H4	H5	H6	O7	H8
C1		1.5131	2.4398	1.0939	1.0990	1.0990	2.3769	3.2037
C2	1.5131		1.2167	2.1430	2.1533	2.1533	1.3694	1.8811
O3	2.4398	1.2167		2.6004	3.1441	3.1441	2.2701	2.2839
H4	1.0939	2.1430	2.6004		1.7961	1.7961	3.3087	4.0087
H5	1.0990	2.1533	3.1441	1.7961		1.7700	2.6470	3.5299
H6	1.0990	2.1533	3.1441	1.7961	1.7700		2.6470	3.5299
O7	2.3769	1.3694	2.2701	3.3087	2.6470	2.6470		0.9800
H8	3.2037	1.8811	2.2839	4.0087	3.5299	3.5299	0.9800

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	126.352	C1	C2	O7	110.998
C2	C1	H4	109.521	C2	C1	H5	110.033
C2	C1	H6	110.033	C2	O7	H8	105.182
O3	C2	O7	122.650	H4	C1	H5	109.979
H4	C1	H6	109.979	H5	C1	H6	107.271

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

using model chemistry: B97D3/6-31G*

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	-0.530
2	C	0.534
3	O	-0.436
4	H	0.190
5	H	0.190
6	H	0.190
7	O	-0.538
8	H	0.401

	x	y	z	Total
	-0.387	-1.491	0.000	1.540
CHELPG
AIM
ESP

	x	y	z
x	4.625	-0.143	0.000
y	-0.143	4.704	0.000
z	0.000	0.000	2.820

<r²>	71.505
(<r²>)^1/2	8.456

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

using model chemistry: B97D3/6-31G*

States and conformations

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