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	hartrees
Energy at 0K	-228.587956
Energy at 298.15K	-228.592821
HF Energy	-227.836632
Nuclear repulsion energy	121.230032

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3795	3584	67.79
2	A'	3257	3076	1.76
3	A'	3128	2954	0.54
4	A'	1857	1754	237.51
5	A'	1498	1415	12.89
6	A'	1434	1354	75.68
7	A'	1365	1289	21.40
8	A'	1223	1155	197.63
9	A'	1011	955	53.84
10	A'	882	833	2.74
11	A'	585	553	41.81
12	A'	419	396	3.60
13	A"	3217	3038	0.97
14	A"	1504	1420	7.92
15	A"	1078	1018	7.55
16	A"	686	648	95.20
17	A"	557	526	20.15
18	A"	89	84	0.41

Atom	x (Å)	y (Å)	z (Å)
C1	0.976	-0.994	0.000
C2	0.000	0.145	0.000
O3	0.311	1.320	0.000
H4	1.970	-0.562	0.000
H5	0.836	-1.622	0.881
H6	0.836	-1.622	-0.881
O7	-1.276	-0.276	0.000
H8	-1.777	0.549	0.000

	C1	C2	O3	H4	H5	H6	O7	H8
C1		1.5001	2.4072	1.0837	1.0911	1.0911	2.3635	3.1554
C2	1.5001		1.2148	2.0930	2.1446	2.1446	1.3439	1.8220
O3	2.4072	1.2148		2.5084	3.1155	3.1155	2.2509	2.2258
H4	1.0837	2.0930	2.5084		1.7849	1.7849	3.2584	3.9078
H5	1.0911	2.1446	3.1155	1.7849		1.7620	2.6548	3.5093
H6	1.0911	2.1446	3.1155	1.7849	1.7620		2.6548	3.5093
O7	2.3635	1.3439	2.2509	3.2584	2.6548	2.6548		0.9650
H8	3.1554	1.8220	2.2258	3.9078	3.5093	3.5093	0.9650

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	124.579	C1	C2	O7	112.290
C2	C1	H4	107.093	C2	C1	H5	110.729
C2	C1	H6	110.729	C2	O7	H8	102.972
O3	C2	O7	123.131	H4	C1	H5	110.308
H4	C1	H6	110.308	H5	C1	H6	107.697

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

using model chemistry: MP2/6-31G(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: MP2/6-31G(2df,p)

States and conformations

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