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	hartrees
Energy at 0K	-227.915079
Energy at 298.15K	-227.920119
HF Energy	-227.915079
Nuclear repulsion energy	122.821543

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	4109	3725	112.99
2	A'	3299	2991	10.20
3	A'	3190	2892	3.60
4	A'	1997	1810	452.19
5	A'	1586	1438	14.41
6	A'	1547	1402	73.87
7	A'	1458	1322	49.25
8	A'	1332	1208	236.63
9	A'	1099	996	60.76
10	A'	928	841	1.94
11	A'	640	580	51.02
12	A'	454	412	4.56
13	A"	3250	2946	9.64
14	A"	1596	1447	7.32
15	A"	1174	1064	11.15
16	A"	711	644	103.48
17	A"	585	530	44.51
18	A"	102	92	0.07

Atom	x (Å)	y (Å)	z (Å)
C1	0.983	-0.984	0.000
C2	0.000	0.143	0.000
O3	0.286	1.294	0.000
H4	1.967	-0.552	0.000
H5	0.845	-1.606	0.876
H6	0.845	-1.606	-0.876
O7	-1.258	-0.258	0.000
H8	-1.780	0.527	0.000

	C1	C2	O3	H4	H5	H6	O7	H8
C1		1.4952	2.3821	1.0746	1.0830	1.0830	2.3561	3.1493
C2	1.4952		1.1865	2.0863	2.1301	2.1301	1.3207	1.8208
O3	2.3821	1.1865		2.4967	3.0802	3.0802	2.1899	2.2035
H4	1.0746	2.0863	2.4967		1.7713	1.7713	3.2390	3.8993
H5	1.0830	2.1301	3.0802	1.7713		1.7514	2.6468	3.4936
H6	1.0830	2.1301	3.0802	1.7713	1.7514		2.6468	3.4936
O7	2.3561	1.3207	2.1899	3.2390	2.6468	2.6468		0.9430
H8	3.1493	1.8208	2.2035	3.8993	3.4936	3.4936	0.9430

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	124.921	C1	C2	O7	113.446
C2	C1	H4	107.420	C2	C1	H5	110.397
C2	C1	H6	110.397	C2	O7	H8	105.884
O3	C2	O7	121.633	H4	C1	H5	110.362
H4	C1	H6	110.362	H5	C1	H6	107.918

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

using model chemistry: HF/Def2TZVPP

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	-0.180
2	C	0.503
3	O	-0.448
4	H	0.104
5	H	0.081
6	H	0.081
7	O	-0.380
8	H	0.239

	x	y	z	Total
	-0.444	-1.879	0.000	1.931
CHELPG
AIM
ESP

	x	y	z
x	4.487	-0.061	0.000
y	-0.061	4.838	0.000
z	0.000	0.000	3.347

<r²>	69.652
(<r²>)^1/2	8.346

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

using model chemistry: HF/Def2TZVPP

States and conformations

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