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	hartrees
Energy at 0K	-229.121837
Energy at 298.15K	-229.126566
Nuclear repulsion energy	119.987724

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3589	3578	33.77
2	A'	3084	3075	6.23
3	A'	2981	2972	2.68
4	A'	1744	1738	274.37
5	A'	1440	1435	15.87
6	A'	1363	1359	31.20
7	A'	1294	1290	18.76
8	A'	1152	1149	189.26
9	A'	958	956	93.85
10	A'	818	815	4.97
11	A'	561	560	32.03
12	A'	411	409	4.16
13	A"	3031	3022	5.61
14	A"	1444	1439	7.92
15	A"	1036	1033	5.49
16	A"	655	653	85.58
17	A"	531	530	19.51
18	A"	68	68	0.36

Atom	x (Å)	y (Å)	z (Å)
C1	1.089	-0.893	0.000
C2	0.000	0.159	0.000
O3	0.163	1.363	0.000
H4	2.066	-0.407	0.000
H5	0.990	-1.536	0.883
H6	0.990	-1.536	-0.883
O7	-1.249	-0.419	0.000
H8	-1.889	0.323	0.000

	C1	C2	O3	H4	H5	H6	O7	H8
C1		1.5139	2.4385	1.0913	1.0965	1.0965	2.3854	3.2162
C2	1.5139		1.2149	2.1423	2.1519	2.1519	1.3760	1.8958
O3	2.4385	1.2149		2.5994	3.1410	3.1410	2.2730	2.2999
H4	1.0913	2.1423	2.5994		1.7921	1.7921	3.3151	4.0217
H5	1.0965	2.1519	3.1410	1.7921		1.7653	2.6530	3.5382
H6	1.0965	2.1519	3.1410	1.7921	1.7653		2.6530	3.5382
O7	2.3854	1.3760	2.2730	3.3151	2.6530	2.6530		0.9794
H8	3.2162	1.8958	2.2999	4.0217	3.5382	3.5382	0.9794

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	126.314	C1	C2	O7	111.176
C2	C1	H4	109.574	C2	C1	H5	110.016
C2	C1	H6	110.016	C2	O7	H8	105.967
O3	C2	O7	122.510	H4	C1	H5	109.998
H4	C1	H6	109.998	H5	C1	H6	107.211

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

using model chemistry: BLYP/cc-pVTZ

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	-0.271
2	C	0.267
3	O	-0.281
4	H	0.113
5	H	0.109
6	H	0.109
7	O	-0.253
8	H	0.206

	x	y	z	Total
	-0.283	-1.600	0.000	1.624
CHELPG
AIM
ESP

<r²>	72.147
(<r²>)^1/2	8.494

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

using model chemistry: BLYP/cc-pVTZ

States and conformations

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