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	hartrees
Energy at 0K	-229.106997
Energy at 298.15K	-229.111766
HF Energy	-229.106997
Nuclear repulsion energy	120.855757

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3718	3588	39.25
2	A'	3174	3063	7.35
3	A'	3055	2948	2.93
4	A'	1834	1769	269.11
5	A'	1483	1431	13.07
6	A'	1407	1358	48.68
7	A'	1345	1298	24.87
8	A'	1203	1161	187.19
9	A'	992	957	64.87
10	A'	856	826	2.58
11	A'	570	550	40.31
12	A'	403	389	3.66
13	A"	3122	3013	5.94
14	A"	1488	1436	6.62
15	A"	1063	1026	6.32
16	A"	682	658	91.10
17	A"	541	522	16.24
18	A"	66	64	0.34

Atom	x (Å)	y (Å)	z (Å)
C1	0.983	-0.998	0.000
C2	0.000	0.143	0.000
O3	0.311	1.318	0.000
H4	1.978	-0.561	0.000
H5	0.849	-1.631	0.883
H6	0.849	-1.631	-0.883
O7	-1.284	-0.270	0.000
H8	-1.790	0.557	0.000

	C1	C2	O3	H4	H5	H6	O7	H8
C1		1.5064	2.4116	1.0866	1.0949	1.0949	2.3816	3.1793
C2	1.5064		1.2153	2.0999	2.1559	2.1559	1.3490	1.8369
O3	2.4116	1.2153		2.5121	3.1251	3.1251	2.2507	2.2342
H4	1.0866	2.0999	2.5121		1.7891	1.7891	3.2754	3.9303
H5	1.0949	2.1559	3.1251	1.7891		1.7661	2.6799	3.5396
H6	1.0949	2.1559	3.1251	1.7891	1.7661		2.6799	3.5396
O7	2.3816	1.3490	2.2507	3.2754	2.6799	2.6799		0.9692
H8	3.1793	1.8369	2.2342	3.9303	3.5396	3.5396	0.9692

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	124.422	C1	C2	O7	112.923
C2	C1	H4	107.043	C2	C1	H5	110.959
C2	C1	H6	110.959	C2	O7	H8	103.605
O3	C2	O7	122.655	H4	C1	H5	110.195
H4	C1	H6	110.195	H5	C1	H6	107.514

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

using model chemistry: TPSSh/6-31G(2df,p)

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: TPSSh/6-31G(2df,p)

States and conformations

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