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	hartrees
Energy at 0K	-227.701116
Energy at 298.15K	-227.706157
Nuclear repulsion energy	121.297222

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3992	3604	92.75
2	A'	3342	3017	5.91
3	A'	3223	2910	1.79
4	A'	1925	1738	361.06
5	A'	1624	1466	22.55
6	A'	1584	1431	45.76
7	A'	1484	1340	101.82
8	A'	1299	1173	208.19
9	A'	1128	1019	96.77
10	A'	931	841	1.62
11	A'	622	561	64.99
12	A'	453	409	6.41
13	A"	3294	2974	4.63
14	A"	1630	1472	12.12
15	A"	1205	1088	17.09
16	A"	701	633	200.71
17	A"	589	532	54.63
18	A"	110	100	0.41

Atom	x (Å)	y (Å)	z (Å)
C1	1.101	-0.852	0.000
C2	0.000	0.150	0.000
O3	0.127	1.354	0.000
H4	2.053	-0.347	0.000
H5	1.020	-1.487	0.873
H6	1.020	-1.487	-0.873
O7	-1.222	-0.436	0.000
H8	-1.947	0.185	0.000

	C1	C2	O3	H4	H5	H6	O7	H8
C1		1.4892	2.4120	1.0775	1.0821	1.0821	2.3601	3.2199
C2	1.4892		1.2110	2.1124	2.1166	2.1166	1.3547	1.9472
O3	2.4120	1.2110		2.5697	3.1030	3.1030	2.2413	2.3811
H4	1.0775	2.1124	2.5697		1.7688	1.7688	3.2759	4.0352
H5	1.0821	2.1166	3.1030	1.7688		1.7458	2.6247	3.5151
H6	1.0821	2.1166	3.1030	1.7688	1.7458		2.6247	3.5151
O7	2.3601	1.3547	2.2413	3.2759	2.6247	2.6247		0.9546
H8	3.2199	1.9472	2.3811	4.0352	3.5151	3.5151	0.9546

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	126.267	C1	C2	O7	112.081
C2	C1	H4	109.735	C2	C1	H5	109.791
C2	C1	H6	109.791	C2	O7	H8	113.834
O3	C2	O7	121.652	H4	C1	H5	109.974
H4	C1	H6	109.974	H5	C1	H6	107.547

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

using model chemistry: HF/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	CHELPG
1	C	-0.516	-0.507
2	C	0.719	1.131
3	O	-0.547	-0.724
4	H	0.208	0.128
5	H	0.209	0.156
6	H	0.209	0.156
7	O	-0.721	-0.879
8	H	0.439	0.539

	x	y	z	Total
	-0.207	-1.927	0.000	1.938
CHELPG	-0.216	-1.950	0.000	1.962
AIM
ESP

	x	y	z
x	3.768	0.025	0.000
y	0.025	4.309	0.000
z	0.000	0.000	2.432

<r²>	71.143
(<r²>)^1/2	8.435

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

using model chemistry: HF/6-31G

States and conformations

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