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	hartrees
Energy at 0K	-227.705911
Energy at 298.15K
HF Energy	-227.705911
Nuclear repulsion energy	119.945917

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3530	3344	30.34
2	A'	3194	3025	1.22
3	A'	3087	2924	0.01
4	A'	1849	1752	214.29
5	A'	1528	1448	22.15
6	A'	1454	1378	54.99
7	A'	1395	1321	45.83
8	A'	1191	1128	197.11
9	A'	1014	960	82.83
10	A'	865	819	1.57
11	A'	580	549	50.72
12	A'	406	385	4.63
13	A"	3150	2984	0.43
14	A"	1538	1457	12.45
15	A"	1113	1055	14.49
16	A"	665	630	134.62
17	A"	551	521	45.85
18	A"	42i	40i	1.12

Atom	x (Å)	y (Å)	z (Å)
C1	1.135	-0.825	0.000
C2	0.000	0.165	0.000
O3	0.072	1.382	0.000
H4	2.081	-0.287	0.000
H5	1.058	-1.464	0.883
H6	1.058	-1.464	-0.883
O7	-1.204	-0.504	0.000
H8	-1.946	0.157	0.000

	C1	C2	O3	H4	H5	H6	O7	H8
C1		1.5057	2.4495	1.0883	1.0932	1.0932	2.3609	3.2340
C2	1.5057		1.2193	2.1294	2.1342	2.1342	1.3776	1.9464
O3	2.4495	1.2193		2.6120	3.1393	3.1393	2.2773	2.3606
H4	1.0883	2.1294	2.6120		1.7921	1.7921	3.2923	4.0517
H5	1.0932	2.1342	3.1393	1.7921		1.7667	2.6119	3.5270
H6	1.0932	2.1342	3.1393	1.7921	1.7667		2.6119	3.5270
O7	2.3609	1.3776	2.2773	3.2923	2.6119	2.6119		0.9943
H8	3.2340	1.9464	2.3606	4.0517	3.5270	3.5270	0.9943

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	127.718	C1	C2	O7	109.852
C2	C1	H4	109.293	C2	C1	H5	109.382
C2	C1	H6	109.382	C2	O7	H8	109.226
O3	C2	O7	122.430	H4	C1	H5	110.473
H4	C1	H6	110.473	H5	C1	H6	107.813

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

using model chemistry: M06-2X/3-21G*

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	-0.643
2	C	0.613
3	O	-0.486
4	H	0.237
5	H	0.245
6	H	0.245
7	O	-0.591
8	H	0.380

	x	y	z	Total
	-0.282	-1.411	0.000	1.439
CHELPG
AIM
ESP

	x	y	z
x	4.001	-0.100	0.000
y	-0.100	4.075	0.000
z	0.000	0.000	2.255

<r²>	71.760
(<r²>)^1/2	8.471

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

using model chemistry: M06-2X/3-21G*

States and conformations

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