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	hartrees
Energy at 0K	-229.027562
Energy at 298.15K	-229.032271
Nuclear repulsion energy	119.575742

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3590	3562	22.56
2	A'	3106	3082	7.24
3	A'	2992	2969	2.81
4	A'	1771	1757	244.80
5	A'	1450	1438	12.65
6	A'	1371	1361	36.68
7	A'	1308	1298	20.56
8	A'	1164	1156	192.18
9	A'	962	954	72.22
10	A'	825	818	3.06
11	A'	558	553	35.80
12	A'	406	403	4.26
13	A"	3051	3028	6.97
14	A"	1454	1443	7.44
15	A"	1034	1026	6.83
16	A"	670	664	97.24
17	A"	525	521	14.93
18	A"	68	67	0.69

Atom	x (Å)	y (Å)	z (Å)
C1	1.082	-0.908	0.000
C2	0.000	0.159	0.000
O3	0.175	1.369	0.000
H4	2.068	-0.429	0.000
H5	0.978	-1.553	0.886
H6	0.978	-1.553	-0.886
O7	-1.255	-0.409	0.000
H8	-1.878	0.352	0.000

	C1	C2	O3	H4	H5	H6	O7	H8
C1		1.5194	2.4507	1.0959	1.1011	1.1011	2.3897	3.2173
C2	1.5194		1.2226	2.1498	2.1610	2.1610	1.3771	1.8880
O3	2.4507	1.2226		2.6106	3.1567	3.1567	2.2811	2.2908
H4	1.0959	2.1498	2.6106		1.7992	1.7992	3.3228	4.0226
H5	1.1011	2.1610	3.1567	1.7992		1.7726	2.6604	3.5453
H6	1.1011	2.1610	3.1567	1.7992	1.7726		2.6604	3.5453
O7	2.3897	1.3771	2.2811	3.3228	2.6604	2.6604		0.9837
H8	3.2173	1.8880	2.2908	4.0226	3.5453	3.5453	0.9837

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	126.355	C1	C2	O7	111.089
C2	C1	H4	109.507	C2	C1	H5	110.085
C2	C1	H6	110.085	C2	O7	H8	104.986
O3	C2	O7	122.556	H4	C1	H5	109.962
H4	C1	H6	109.962	H5	C1	H6	107.211

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

using model chemistry: BLYP/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	-0.336
2	C	0.500
3	O	-0.424
4	H	0.130
5	H	0.132
6	H	0.132
7	O	-0.437
8	H	0.303

	x	y	z	Total
	-0.356	-1.489	0.000	1.531
CHELPG
AIM
ESP

<r²>	72.112
(<r²>)^1/2	8.492

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

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

States and conformations

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