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	hartrees
Energy at 0K	-226.957265
Energy at 298.15K	-226.962129
HF Energy	-226.529322
Nuclear repulsion energy	118.764900

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3501	3342	16.15
2	A'	3219	3072	5.03
3	A'	3116	2974	1.05
4	A'	1753	1673	129.80
5	A'	1575	1503	21.80
6	A'	1479	1411	29.42
7	A'	1389	1326	35.53
8	A'	1186	1132	152.68
9	A'	1010	964	140.79
10	A'	830	792	3.84
11	A'	567	541	42.31
12	A'	408	390	3.59
13	A"	3186	3041	3.37
14	A"	1582	1510	9.31
15	A"	1132	1080	7.30
16	A"	662	632	135.33
17	A"	554	529	31.32
18	A"	112	107	0.94

Atom	x (Å)	y (Å)	z (Å)
C1	1.156	-0.813	0.000
C2	0.000	0.167	0.000
O3	0.050	1.402	0.000
H4	2.093	-0.257	0.000
H5	1.092	-1.451	0.886
H6	1.092	-1.451	-0.886
O7	-1.208	-0.539	0.000
H8	-1.947	0.129	0.000

	C1	C2	O3	H4	H5	H6	O7	H8
C1		1.5158	2.4766	1.0900	1.0932	1.0932	2.3795	3.2429
C2	1.5158		1.2361	2.1354	2.1441	2.1441	1.3990	1.9474
O3	2.4766	1.2361		2.6320	3.1646	3.1646	2.3128	2.3680
H4	1.0900	2.1354	2.6320		1.7923	1.7923	3.3128	4.0583
H5	1.0932	2.1441	3.1646	1.7923		1.7714	2.6283	3.5384
H6	1.0932	2.1441	3.1646	1.7923	1.7714		2.6283	3.5384
O7	2.3795	1.3990	2.3128	3.3128	2.6283	2.6283		0.9963
H8	3.2429	1.9474	2.3680	4.0583	3.5384	3.5384	0.9963

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	128.014	C1	C2	O7	109.381
C2	C1	H4	108.970	C2	C1	H5	109.462
C2	C1	H6	109.462	C2	O7	H8	107.593
O3	C2	O7	122.605	H4	C1	H5	110.353
H4	C1	H6	110.353	H5	C1	H6	108.225

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

using model chemistry: MP2/3-21G

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	ESP
1	C	-0.619	-0.560
2	C	0.602	0.789
3	O	-0.450	-0.493
4	H	0.219	0.144
5	H	0.229	0.170
6	H	0.229	0.170
7	O	-0.575	-0.648
8	H	0.366	0.426

	x	y	z	Total
	-0.224	-1.110	0.000	1.132
CHELPG
AIM
ESP	-0.216	-1.110	0.000	1.130

	x	y	z
x	4.062	-0.028	0.000
y	-0.028	4.161	0.000
z	0.000	0.000	2.258

<r²>	73.147
(<r²>)^1/2	8.553

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

using model chemistry: MP2/3-21G

States and conformations

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