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	hartrees
Energy at 0K	-228.610717
Energy at 298.15K	-228.615609
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3840	3631	61.18
2	A'	3228	3052	3.64
3	A'	3111	2941	1.19
4	A'	1899	1796	279.64
5	A'	1503	1421	11.86
6	A'	1452	1373	73.11
7	A'	1384	1309	14.53
8	A'	1252	1183	207.39
9	A'	1024	968	47.93
10	A'	887	839	2.21
11	A'	594	562	44.63
12	A'	421	398	3.65
13	A"	3187	3013	2.85
14	A"	1506	1424	7.02
15	A"	1090	1031	8.07
16	A"	683	646	95.62
17	A"	557	527	23.98
18	A"	95	90	0.27

Atom	x (Å)	y (Å)	z (Å)
C1	0.974	-0.999	0.000
C2	0.000	0.145	0.000
O3	0.314	1.312	0.000
H4	1.971	-0.571	0.000
H5	0.831	-1.627	0.882
H6	0.831	-1.627	-0.882
O7	-1.277	-0.263	0.000
H8	-1.774	0.560	0.000

	C1	C2	O3	H4	H5	H6	O7	H8
C1		1.5029	2.4038	1.0849	1.0924	1.0924	2.3681	3.1596
C2	1.5029		1.2083	2.0973	2.1475	2.1475	1.3407	1.8218
O3	2.4038	1.2083		2.5088	3.1123	3.1123	2.2389	2.2191
H4	1.0849	2.0973	2.5088		1.7867	1.7867	3.2624	3.9122
H5	1.0924	2.1475	3.1123	1.7867		1.7649	2.6614	3.5144
H6	1.0924	2.1475	3.1123	1.7867	1.7649		2.6614	3.5144
O7	2.3681	1.3407	2.2389	3.2624	2.6614	2.6614		0.9619
H8	3.1596	1.8218	2.2191	3.9122	3.5144	3.5144	0.9619

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	124.547	C1	C2	O7	112.647
C2	C1	H4	107.170	C2	C1	H5	110.679
C2	C1	H6	110.679	C2	O7	H8	103.367
O3	C2	O7	122.806	H4	C1	H5	110.285
H4	C1	H6	110.285	H5	C1	H6	107.763

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

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

States and conformations

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