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	hartrees
Energy at 0K	-228.722616
Energy at 298.15K	-228.727454
HF Energy	-227.905144
Nuclear repulsion energy	121.133591

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3752	3575	75.62
2	A'	3224	3072	2.02
3	A'	3097	2952	0.98
4	A'	1810	1725	289.03
5	A'	1493	1422	15.53
6	A'	1422	1355	61.52
7	A'	1343	1279	43.72
8	A'	1206	1150	199.85
9	A'	1009	961	70.21
10	A'	874	833	5.26
11	A'	583	556	37.80
12	A'	423	403	3.86
13	A"	3181	3031	1.33
14	A"	1501	1430	8.72
15	A"	1076	1026	5.13
16	A"	662	631	88.72
17	A"	550	524	25.23
18	A"	78	74	0.21

Atom	x (Å)	y (Å)	z (Å)
C1	0.996	-0.976	0.000
C2	0.000	0.142	0.000
O3	0.288	1.325	0.000
H4	1.981	-0.529	0.000
H5	0.864	-1.603	0.880
H6	0.864	-1.603	-0.880
O7	-1.274	-0.297	0.000
H8	-1.802	0.514	0.000

	C1	C2	O3	H4	H5	H6	O7	H8
C1		1.4971	2.4067	1.0816	1.0891	1.0891	2.3690	3.1696
C2	1.4971		1.2171	2.0916	2.1376	2.1376	1.3474	1.8399
O3	2.4067	1.2171		2.5101	3.1114	3.1114	2.2518	2.2422
H4	1.0816	2.0916	2.5101		1.7821	1.7821	3.2630	3.9240
H5	1.0891	2.1376	3.1114	1.7821		1.7604	2.6559	3.5168
H6	1.0891	2.1376	3.1114	1.7821	1.7604		2.6559	3.5168
O7	2.3690	1.3474	2.2518	3.2630	2.6559	2.6559		0.9677
H8	3.1696	1.8399	2.2422	3.9240	3.5168	3.5168	0.9677

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	124.595	C1	C2	O7	112.673
C2	C1	H4	107.304	C2	C1	H5	110.496
C2	C1	H6	110.496	C2	O7	H8	104.058
O3	C2	O7	122.732	H4	C1	H5	110.365
H4	C1	H6	110.365	H5	C1	H6	107.832

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

using model chemistry: MP2/aug-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: MP2/aug-cc-pVTZ

States and conformations

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