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	hartrees
Energy at 0K	-227.897712
Energy at 298.15K	-227.902736
HF Energy	-227.897712
Nuclear repulsion energy	122.708342

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	4100	3726	110.26
2	A'	3307	3004	9.65
3	A'	3197	2905	3.41
4	A'	2004	1821	468.11
5	A'	1590	1445	14.05
6	A'	1548	1407	72.80
7	A'	1459	1325	53.35
8	A'	1336	1214	248.38
9	A'	1101	1000	64.35
10	A'	927	842	2.06
11	A'	643	584	52.12
12	A'	457	415	4.54
13	A"	3260	2962	9.85
14	A"	1597	1451	8.63
15	A"	1174	1066	11.89
16	A"	704	640	121.32
17	A"	583	529	46.67
18	A"	90	82	0.15

Atom	x (Å)	y (Å)	z (Å)
C1	1.028	-0.937	0.000
C2	0.000	0.156	0.000
O3	0.226	1.316	0.000
H4	2.015	-0.504	0.000
H5	0.893	-1.561	0.875
H6	0.893	-1.561	-0.875
O7	-1.241	-0.326	0.000
H8	-1.850	0.399	0.000

	C1	C2	O3	H4	H5	H6	O7	H8
C1		1.5005	2.3916	1.0784	1.0830	1.0830	2.3494	3.1729
C2	1.5005		1.1818	2.1204	2.1235	2.1235	1.3308	1.8656
O3	2.3916	1.1818		2.5521	3.0798	3.0798	2.2011	2.2686
H4	1.0784	2.1204	2.5521		1.7730	1.7730	3.2607	3.9690
H5	1.0830	2.1235	3.0798	1.7730		1.7504	2.6157	3.4827
H6	1.0830	2.1235	3.0798	1.7730	1.7504		2.6157	3.4827
O7	2.3494	1.3308	2.2011	3.2607	2.6157	2.6157		0.9472
H8	3.1729	1.8656	2.2686	3.9690	3.4827	3.4827	0.9472

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	125.749	C1	C2	O7	112.023
C2	C1	H4	109.530	C2	C1	H5	109.505
C2	C1	H6	109.505	C2	O7	H8	108.800
O3	C2	O7	122.228	H4	C1	H5	110.225
H4	C1	H6	110.225	H5	C1	H6	107.825

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

using model chemistry: HF/TZVP

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	-0.276
2	C	0.404
3	O	-0.425
4	H	0.123
5	H	0.113
6	H	0.113
7	O	-0.361
8	H	0.311

	x	y	z	Total
	-0.398	-1.860	0.000	1.902
CHELPG
AIM
ESP

	x	y	z
x	4.212	0.019	0.000
y	0.019	4.708	0.000
z	0.000	0.000	3.144

<r²>	69.847
(<r²>)^1/2	8.357

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

using model chemistry: HF/TZVP

States and conformations

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