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	hartrees
Energy at 0K	-229.089323
Energy at 298.15K
HF Energy	-229.089323
Nuclear repulsion energy	121.646770

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3805	3637	86.28
2	A'	3181	3040	1.85
3	A'	3067	2931	0.30
4	A'	1876	1793	371.32
5	A'	1470	1405	14.33
6	A'	1418	1355	89.24
7	A'	1346	1286	28.75
8	A'	1225	1171	220.63
9	A'	1001	957	52.68
10	A'	886	846	2.80
11	A'	599	573	42.25
12	A'	424	406	4.32
13	A"	3136	2997	0.98
14	A"	1472	1407	8.34
15	A"	1067	1019	9.44
16	A"	660	630	94.56
17	A"	541	517	28.31
18	A"	130i	124i	0.14

Atom	x (Å)	y (Å)	z (Å)
C1	1.002	-0.971	0.000
C2	0.000	0.140	0.000
O3	0.278	1.314	0.000
H4	1.986	-0.521	0.000
H5	0.870	-1.599	0.881
H6	0.870	-1.599	-0.881
O7	-1.269	-0.290	0.000
H8	-1.809	0.511	0.000

	C1	C2	O3	H4	H5	H6	O7	H8
C1		1.4964	2.3967	1.0823	1.0897	1.0897	2.3710	3.1772
C2	1.4964		1.2057	2.0932	2.1350	2.1350	1.3399	1.8461
O3	2.3967	1.2057		2.5065	3.0999	3.0999	2.2279	2.2355
H4	1.0823	2.0932	2.5065		1.7842	1.7842	3.2633	3.9323
H5	1.0897	2.1350	3.0999	1.7842		1.7619	2.6582	3.5217
H6	1.0897	2.1350	3.0999	1.7842	1.7619		2.6582	3.5217
O7	2.3710	1.3399	2.2279	3.2633	2.6582	2.6582		0.9653
H8	3.1772	1.8461	2.2355	3.9323	3.5217	3.5217	0.9653

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	124.642	C1	C2	O7	113.312
C2	C1	H4	107.443	C2	C1	H5	110.301
C2	C1	H6	110.301	C2	O7	H8	105.255
O3	C2	O7	122.046	H4	C1	H5	110.465
H4	C1	H6	110.465	H5	C1	H6	107.882

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

using model chemistry: M06-2X/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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Number	Element	Mulliken
1	C	-0.606
2	C	0.538
3	O	-0.638
4	H	0.264
5	H	0.291
6	H	0.291
7	O	-0.415
8	H	0.276

	x	y	z	Total
	-0.269	-1.769	0.000	1.790
CHELPG
AIM
ESP

	x	y	z
x	5.359	-0.144	0.000
y	-0.144	5.552	0.000
z	0.000	0.000	3.839

<r²>	70.599
(<r²>)^1/2	8.402

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

using model chemistry: M06-2X/aug-cc-pVTZ

States and conformations

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