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	hartrees
Energy at 0K	-228.982380
Energy at 298.15K
HF Energy	-228.982380
Nuclear repulsion energy	121.276247

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3765	3565	69.00
2	A'	3218	3047	2.48
3	A'	3099	2935	0.58
4	A'	1922	1820	325.43
5	A'	1499	1420	13.25
6	A'	1447	1370	98.60
7	A'	1375	1302	18.79
8	A'	1253	1187	225.83
9	A'	1014	960	42.09
10	A'	893	845	2.55
11	A'	597	565	46.79
12	A'	422	399	4.25
13	A"	3173	3004	2.16
14	A"	1499	1420	9.16
15	A"	1078	1021	10.74
16	A"	699	662	125.79
17	A"	551	522	16.23
18	A"	92i	87i	0.52

Atom	x (Å)	y (Å)	z (Å)
C1	1.054	-0.918	0.000
C2	0.000	0.156	0.000
O3	0.196	1.343	0.000
H4	2.040	-0.456	0.000
H5	0.933	-1.552	0.882
H6	0.933	-1.552	-0.882
O7	-1.242	-0.374	0.000
H8	-1.860	0.377	0.000

	C1	C2	O3	H4	H5	H6	O7	H8
C1		1.5040	2.4183	1.0886	1.0931	1.0931	2.3588	3.1887
C2	1.5040		1.2038	2.1293	2.1361	2.1361	1.3498	1.8735
O3	2.4183	1.2038		2.5764	3.1150	3.1150	2.2395	2.2719
H4	1.0886	2.1293	2.5764		1.7900	1.7900	3.2822	3.9879
H5	1.0931	2.1361	3.1150	1.7900		1.7638	2.6253	3.5070
H6	1.0931	2.1361	3.1150	1.7900	1.7638		2.6253	3.5070
O7	2.3588	1.3498	2.2395	3.2822	2.6253	2.6253		0.9730
H8	3.1887	1.8735	2.2719	3.9879	3.5070	3.5070	0.9730

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	126.168	C1	C2	O7	111.374
C2	C1	H4	109.389	C2	C1	H5	109.661
C2	C1	H6	109.661	C2	O7	H8	106.388
O3	C2	O7	122.458	H4	C1	H5	110.265
H4	C1	H6	110.265	H5	C1	H6	107.577

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

using model chemistry: M06-2X/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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Number	Element	Mulliken
1	C	-0.557
2	C	0.573
3	O	-0.464
4	H	0.203
5	H	0.203
6	H	0.203
7	O	-0.594
8	H	0.432

	x	y	z	Total
	-0.418	-1.519	0.000	1.576
CHELPG
AIM
ESP

	x	y	z
x	4.274	-0.076	0.000
y	-0.076	4.525	0.000
z	0.000	0.000	2.780

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: M06-2X/6-31G*

States and conformations

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