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	hartrees
Energy at 0K	-227.851107
Energy at 298.15K	-227.856148
Nuclear repulsion energy	122.346015

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	4111	3744	111.27
2	A'	3316	3019	10.21
3	A'	3197	2911	3.55
4	A'	1986	1809	453.81
5	A'	1565	1425	14.87
6	A'	1534	1397	84.55
7	A'	1449	1319	24.78
8	A'	1338	1219	248.52
9	A'	1091	993	54.29
10	A'	932	848	1.11
11	A'	635	579	52.54
12	A'	451	410	4.78
13	A"	3267	2975	9.60
14	A"	1574	1433	7.07
15	A"	1161	1057	10.78
16	A"	705	642	104.40
17	A"	587	534	40.83
18	A"	102	93	0.08

Atom	x (Å)	y (Å)	z (Å)
C1	1.032	-0.936	0.000
C2	0.000	0.154	0.000
O3	0.224	1.321	0.000
H4	2.023	-0.496	0.000
H5	0.895	-1.563	0.880
H6	0.895	-1.563	-0.880
O7	-1.243	-0.331	0.000
H8	-1.848	0.398	0.000

	C1	C2	O3	H4	H5	H6	O7	H8
C1		1.5009	2.3974	1.0843	1.0892	1.0892	2.3540	3.1743
C2	1.5009		1.1882	2.1249	2.1269	2.1269	1.3344	1.8644
O3	2.3974	1.1882		2.5574	3.0892	3.0892	2.2093	2.2681
H4	1.0843	2.1249	2.5574		1.7846	1.7846	3.2703	3.9734
H5	1.0892	2.1269	3.0892	1.7846		1.7601	2.6198	3.4853
H6	1.0892	2.1269	3.0892	1.7846	1.7601		2.6198	3.4853
O7	2.3540	1.3344	2.2093	3.2703	2.6198	2.6198		0.9479
H8	3.1743	1.8644	2.2681	3.9734	3.4853	3.4853	0.9479

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	125.722	C1	C2	O7	112.112
C2	C1	H4	109.506	C2	C1	H5	109.369
C2	C1	H6	109.369	C2	O7	H8	108.363
O3	C2	O7	122.166	H4	C1	H5	110.385
H4	C1	H6	110.385	H5	C1	H6	107.797

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

using model chemistry: HF/aug-cc-pVDZ

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	0.298
2	C	0.762
3	O	-0.681
4	H	-0.014
5	H	0.043
6	H	0.043
7	O	-0.605
8	H	0.155

	x	y	z	Total
	-0.365	-1.938	0.000	1.972
CHELPG
AIM
ESP

	x	y	z
x	4.808	-0.092	0.000
y	-0.092	5.135	0.000
z	0.000	0.000	3.617

<r²>	70.148
(<r²>)^1/2	8.375

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

using model chemistry: HF/aug-cc-pVDZ

States and conformations

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