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	hartrees
Energy at 0K	-228.358227
Energy at 298.15K	-228.363178
HF Energy	-227.809650
Nuclear repulsion energy	121.586802

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3862	3576	75.84
2	A'	3296	3052	5.13
3	A'	3179	2943	1.51
4	A'	1961	1815	331.36
5	A'	1563	1447	13.19
6	A'	1515	1402	83.40
7	A'	1434	1328	34.25
8	A'	1299	1203	225.89
9	A'	1069	990	52.22
10	A'	917	849	1.69
11	A'	611	565	51.86
12	A'	438	405	4.45
13	A"	3253	3012	4.43
14	A"	1564	1448	8.84
15	A"	1135	1051	10.53
16	A"	706	654	129.57
17	A"	570	527	26.16
18	A"	97	90	0.35

Atom	x (Å)	y (Å)	z (Å)
C1	1.051	-0.915	0.000
C2	0.000	0.154	0.000
O3	0.196	1.340	0.000
H4	2.033	-0.454	0.000
H5	0.932	-1.545	0.879
H6	0.932	-1.545	-0.879
O7	-1.239	-0.373	0.000
H8	-1.857	0.371	0.000

	C1	C2	O3	H4	H5	H6	O7	H8
C1		1.4991	2.4116	1.0844	1.0885	1.0885	2.3535	3.1796
C2	1.4991		1.2021	2.1221	2.1283	2.1283	1.3469	1.8694
O3	2.4116	1.2021		2.5680	3.1050	3.1050	2.2351	2.2698
H4	1.0844	2.1221	2.5680		1.7822	1.7822	3.2733	3.9764
H5	1.0885	2.1283	3.1050	1.7822		1.7578	2.6191	3.4961
H6	1.0885	2.1283	3.1050	1.7822	1.7578		2.6191	3.4961
O7	2.3535	1.3469	2.2351	3.2733	2.6191	2.6191		0.9674
H8	3.1796	1.8694	2.2698	3.9764	3.4961	3.4961	0.9674

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	126.097	C1	C2	O7	111.467
C2	C1	H4	109.397	C2	C1	H5	109.651
C2	C1	H6	109.651	C2	O7	H8	106.609
O3	C2	O7	122.436	H4	C1	H5	110.212
H4	C1	H6	110.212	H5	C1	H6	107.696

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

using model chemistry: CISD/6-31G*

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: CISD/6-31G*

States and conformations

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