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	hartrees
Energy at 0K	-227.918646
Energy at 298.15K	-227.923405
Nuclear repulsion energy	121.338448

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3636	3577	42.32
2	A'	3143	3092	0.68
3	A'	3011	2962	0.12
4	A'	1848	1818	259.50
5	A'	1413	1390	28.24
6	A'	1391	1369	118.45
7	A'	1301	1280	11.07
8	A'	1182	1162	180.86
9	A'	959	943	27.89
10	A'	880	865	4.50
11	A'	568	558	48.29
12	A'	408	402	5.29
13	A"	3091	3040	0.31
14	A"	1414	1391	13.11
15	A"	1020	1003	12.91
16	A"	701	689	102.14
17	A"	533	524	16.23
18	A"	72	71	1.07

Atom	x (Å)	y (Å)	z (Å)
C1	1.052	-0.904	0.000
C2	0.000	0.149	0.000
O3	0.186	1.347	0.000
H4	2.042	-0.434	0.000
H5	0.939	-1.551	0.885
H6	0.939	-1.551	-0.885
O7	-1.235	-0.387	0.000
H8	-1.838	0.390	0.000

	C1	C2	O3	H4	H5	H6	O7	H8
C1		1.4882	2.4119	1.0969	1.1019	1.1019	2.3440	3.1658
C2	1.4882		1.2125	2.1237	2.1339	2.1339	1.3461	1.8536
O3	2.4119	1.2125		2.5724	3.1221	3.1221	2.2418	2.2387
H4	1.0969	2.1237	2.5724		1.8026	1.8026	3.2774	3.9665
H5	1.1019	2.1339	3.1221	1.8026		1.7702	2.6195	3.5012
H6	1.1019	2.1339	3.1221	1.8026	1.7702		2.6195	3.5012
O7	2.3440	1.3461	2.2418	3.2774	2.6195	2.6195		0.9835
H8	3.1658	1.8536	2.2387	3.9665	3.5012	3.5012	0.9835

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	126.226	C1	C2	O7	111.490
C2	C1	H4	109.551	C2	C1	H5	110.057
C2	C1	H6	110.057	C2	O7	H8	104.356
O3	C2	O7	122.284	H4	C1	H5	110.133
H4	C1	H6	110.133	H5	C1	H6	106.879

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

using model chemistry: SVWN/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	-0.493
2	C	0.445
3	O	-0.401
4	H	0.180
5	H	0.183
6	H	0.183
7	O	-0.434
8	H	0.336

	x	y	z	Total
	-0.446	-1.552	0.000	1.615
CHELPG
AIM
ESP

	x	y	z
x	4.655	-0.176	0.000
y	-0.176	4.725	0.000
z	0.000	0.000	2.870

<r²>	0.000
(<r²>)^1/2	0.000

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

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

States and conformations

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