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	hartrees
Energy at 0K	-228.719031
Energy at 298.15K	-228.723910
HF Energy	-227.903075
Nuclear repulsion energy	121.500267

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3828	3603	66.41
2	A'	3199	3011	4.57
3	A'	3085	2904	1.99
4	A'	1879	1769	304.54
5	A'	1495	1407	12.65
6	A'	1445	1360	78.10
7	A'	1374	1293	19.05
8	A'	1243	1170	210.76
9	A'	1021	961	53.79
10	A'	885	833	2.79
11	A'	596	561	43.52
12	A'	425	400	3.74
13	A"	3156	2970	4.34
14	A"	1501	1413	7.56
15	A"	1088	1024	6.63
16	A"	671	632	91.53
17	A"	554	522	28.76
18	A"	85	80	0.23

Atom	x (Å)	y (Å)	z (Å)
C1	0.985	-0.987	0.000
C2	0.000	0.143	0.000
O3	0.300	1.314	0.000
H4	1.975	-0.551	0.000
H5	0.849	-1.614	0.881
H6	0.849	-1.614	-0.881
O7	-1.275	-0.275	0.000
H8	-1.785	0.540	0.000

	C1	C2	O3	H4	H5	H6	O7	H8
C1		1.4995	2.4010	1.0822	1.0898	1.0898	2.3695	3.1634
C2	1.4995		1.2085	2.0938	2.1410	2.1410	1.3416	1.8285
O3	2.4010	1.2085		2.5069	3.1064	3.1064	2.2370	2.2234
H4	1.0822	2.0938	2.5069		1.7824	1.7824	3.2619	3.9154
H5	1.0898	2.1410	3.1064	1.7824		1.7619	2.6602	3.5146
H6	1.0898	2.1410	3.1064	1.7824	1.7619		2.6602	3.5146
O7	2.3695	1.3416	2.2370	3.2619	2.6602	2.6602		0.9621
H8	3.1634	1.8285	2.2234	3.9154	3.5146	3.5146	0.9621

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	124.560	C1	C2	O7	112.906
C2	C1	H4	107.284	C2	C1	H5	110.557
C2	C1	H6	110.557	C2	O7	H8	103.843
O3	C2	O7	122.534	H4	C1	H5	110.297
H4	C1	H6	110.297	H5	C1	H6	107.867

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

using model chemistry: CCSD/cc-pVTZ

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: CCSD/cc-pVTZ

States and conformations

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