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	hartrees
Energy at 0K	-228.918257
Energy at 298.15K
HF Energy	-228.918257
Nuclear repulsion energy	120.499234

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	410	407	4.69
2	A'	565	560	33.99
3	A'	840	833	4.79
4	A'	956	948	67.04
5	A'	1159	1149	200.21
6	A'	1291	1280	23.28
7	A'	1351	1340	54.39
8	A'	1421	1409	17.05
9	A'	1764	1749	310.87
10	A'	2988	2964	1.30
11	A'	3103	3078	3.37
12	A'	3640	3610	43.27
13	A"	62	62	0.24
14	A"	530	526	19.41
15	A"	657	652	84.89
16	A"	1021	1013	6.49
17	A"	1424	1413	9.62
18	A"	3051	3026	2.45

Atom	x (Å)	y (Å)	z (Å)
C1	1.075	-0.898	0.000
C2	0.000	0.155	0.000
O3	0.174	1.356	0.000
H4	2.058	-0.420	0.000
H5	0.970	-1.542	0.883
H6	0.970	-1.542	-0.883
O7	-1.246	-0.404	0.000
H8	-1.873	0.346	0.000

	C1	C2	O3	H4	H5	H6	O7	H8
C1		1.5046	2.4268	1.0929	1.0983	1.0983	2.3724	3.1990
C2	1.5046		1.2131	2.1365	2.1450	2.1450	1.3655	1.8823
O3	2.4268	1.2131		2.5886	3.1321	3.1321	2.2611	2.2821
H4	1.0929	2.1365	2.5886		1.7953	1.7953	3.3034	4.0042
H5	1.0983	2.1450	3.1321	1.7953		1.7663	2.6425	3.5247
H6	1.0983	2.1450	3.1321	1.7953	1.7663		2.6425	3.5247
O7	2.3724	1.3655	2.2611	3.3034	2.6425	2.6425		0.9776
H8	3.1990	1.8823	2.2821	4.0042	3.5247	3.5247	0.9776

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	126.163	C1	C2	O7	111.410
C2	C1	H4	109.660	C2	C1	H5	110.012
C2	C1	H6	110.012	C2	O7	H8	105.711
O3	C2	O7	122.427	H4	C1	H5	110.034
H4	C1	H6	110.034	H5	C1	H6	107.055

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

using model chemistry: PBEPBE/6-311+G(3df,2p)

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	-0.305
2	C	0.814
3	O	-0.687
4	H	0.146
5	H	0.144
6	H	0.144
7	O	-0.506
8	H	0.251

	x	y	z	Total
	-0.239	-1.718	0.000	1.735
CHELPG
AIM
ESP

	x	y	z
x	5.908	-0.189	0.000
y	-0.189	5.960	0.000
z	0.000	0.000	4.004

<r²>	71.705
(<r²>)^1/2	8.468

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

using model chemistry: PBEPBE/6-311+G(3df,2p)

States and conformations

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