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	hartrees
Energy at 0K	-226.964197
Energy at 298.15K	-226.969062
HF Energy	-226.529364
Nuclear repulsion energy	118.780014

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3502	3343	16.21
2	A'	3219	3074	4.98
3	A'	3116	2975	1.03
4	A'	1753	1674	129.81
5	A'	1575	1503	21.80
6	A'	1479	1412	29.50
7	A'	1389	1326	35.81
8	A'	1186	1133	152.69
9	A'	1010	964	140.61
10	A'	831	793	3.82
11	A'	567	541	42.33
12	A'	408	390	3.60
13	A"	3187	3043	3.33
14	A"	1582	1511	9.35
15	A"	1132	1081	7.33
16	A"	662	632	135.34
17	A"	554	529	31.35
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		1.5155	2.4762	1.0899	1.0931	1.0931	2.3793	3.2426
C2	1.5155		1.2361	2.1351	2.1438	2.1438	1.3988	1.9473
O3	2.4762	1.2361		2.6316	3.1642	3.1642	2.3125	2.3678
H4	1.0899	2.1351	2.6316		1.7920	1.7920	3.3123	4.0579
H5	1.0931	2.1438	3.1642	1.7920		1.7711	2.6281	3.5382
H6	1.0931	2.1438	3.1642	1.7920	1.7711		2.6281	3.5382
O7	2.3793	1.3988	2.3125	3.3123	2.6281	2.6281		0.9962
H8	3.2426	1.9473	2.3678	4.0579	3.5382	3.5382	0.9962

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	128.008	C1	C2	O7	109.390
C2	C1	H4	108.971	C2	C1	H5	109.467
C2	C1	H6	109.467	C2	O7	H8	107.604
O3	C2	O7	122.602	H4	C1	H5	110.349
H4	C1	H6	110.349	H5	C1	H6	108.222

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

using model chemistry: MP2=FULL/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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All results from a given calculation for CH3COOH (Acetic acid)

using model chemistry: MP2=FULL/3-21G

States and conformations

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