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	hartrees
Energy at 0K	-228.721523
Energy at 298.15K	-228.726391
HF Energy	-227.902845
Nuclear repulsion energy	121.401727

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3821	3651	65.21
2	A'	3196	3054	4.74
3	A'	3082	2945	2.14
4	A'	1863	1780	297.78
5	A'	1494	1428	12.71
6	A'	1441	1377	73.51
7	A'	1371	1310	20.16
8	A'	1238	1183	207.37
9	A'	1019	974	55.67
10	A'	882	842	2.80
11	A'	593	567	42.87
12	A'	424	405	3.68
13	A"	3153	3012	4.54
14	A"	1501	1434	7.52
15	A"	1086	1037	6.50
16	A"	670	640	91.97
17	A"	553	528	27.57
18	A"	82	78	0.23

Atom	x (Å)	y (Å)	z (Å)
C1	0.986	-0.987	0.000
C2	0.000	0.143	0.000
O3	0.300	1.316	0.000
H4	1.976	-0.550	0.000
H5	0.850	-1.615	0.881
H6	0.850	-1.615	-0.881
O7	-1.276	-0.277	0.000
H8	-1.786	0.539	0.000

	C1	C2	O3	H4	H5	H6	O7	H8
C1		1.5001	2.4032	1.0824	1.0900	1.0900	2.3706	3.1644
C2	1.5001		1.2103	2.0946	2.1419	2.1419	1.3430	1.8292
O3	2.4032	1.2103		2.5089	3.1089	3.1089	2.2402	2.2255
H4	1.0824	2.0946	2.5089		1.7826	1.7826	3.2635	3.9169
H5	1.0900	2.1419	3.1089	1.7826		1.7621	2.6612	3.5157
H6	1.0900	2.1419	3.1089	1.7826	1.7621		2.6612	3.5157
O7	2.3706	1.3430	2.2402	3.2635	2.6612	2.6612		0.9624
H8	3.1644	1.8292	2.2255	3.9169	3.5157	3.5157	0.9624

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	124.567	C1	C2	O7	112.867
C2	C1	H4	107.295	C2	C1	H5	110.571
C2	C1	H6	110.571	C2	O7	H8	103.791
O3	C2	O7	122.566	H4	C1	H5	110.283
H4	C1	H6	110.283	H5	C1	H6	107.857

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

using model chemistry: QCISD/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: QCISD/cc-pVTZ

States and conformations

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