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	hartrees
Energy at 0K	-227.810648
Energy at 298.15K
HF Energy	-227.810648
Nuclear repulsion energy	122.456345

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	4055	3644	106.19
2	A	3344	3005	10.14
3	A	3296	2961	9.53
4	A	3232	2904	3.60
5	A	2042	1835	426.22
6	A	1620	1455	6.74
7	A	1614	1450	13.43
8	A	1574	1414	75.76
9	A	1483	1333	48.48
10	A	1355	1217	248.45
11	A	1184	1064	13.25
12	A	1114	1001	55.36
13	A	938	843	1.68
14	A	725	651	138.18
15	A	637	573	57.92
16	A	587	527	35.04
17	A	451	405	4.31
18	A	102	92	0.21

Atom	x (Å)	y (Å)	z (Å)
C1	1.387	-0.123	0.000
C2	-0.095	0.123	0.000
O3	-0.622	1.187	0.000
H4	1.910	0.821	-0.000
H5	1.660	-0.701	0.875
H6	1.660	-0.701	-0.875
O7	-0.786	-1.015	0.000
H8	-1.714	-0.798	0.000

	C1	C2	O3	H4	H5	H6	O7	H8
C1		1.5019	2.3979	1.0794	1.0838	1.0838	2.3493	3.1732
C2	1.5019		1.1870	2.1232	2.1273	2.1273	1.3322	1.8628
O3	2.3979	1.1870		2.5586	3.0884	3.0884	2.2083	2.2655
H4	1.0794	2.1232	2.5586		1.7734	1.7734	3.2627	3.9694
H5	1.0838	2.1273	3.0884	1.7734		1.7500	2.6174	3.4869
H6	1.0838	2.1273	3.0884	1.7734	1.7500		2.6174	3.4869
O7	2.3493	1.3322	2.2083	3.2627	2.6174	2.6174		0.9523
H8	3.1732	1.8628	2.2655	3.9694	3.4869	3.4869	0.9523

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	125.796	C1	C2	O7	111.842
C2	C1	H4	109.585	C2	C1	H5	109.655
C2	C1	H6	109.655	C2	O7	H8	108.100
O3	C2	O7	122.362	H4	C1	H5	110.126
H4	C1	H6	110.126	H5	C1	H6	107.668

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

using model chemistry: HF/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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	x	y	z	Total
	0.693	-1.654	0.000	1.793
CHELPG	-0.448	-1.774	0.000	1.829
AIM
ESP	-0.441	-1.778	0.000	1.831

Number	Element	Mulliken
1	C	-0.571
2	C	0.724
3	O	-0.551
4	H	0.211
5	H	0.205
6	H	0.205
7	O	-0.688
8	H	0.465

	x	y	z
x	3.999	-0.181	0.000
y	-0.181	4.081	0.000
z	0.000	0.000	2.687

<r²>	69.860
(<r²>)^1/2	8.358

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

using model chemistry: HF/6-31G*

States and conformations

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