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	hartrees
Energy at 0K	-228.870336
Energy at 298.15K	-228.875151
HF Energy	-228.870336
Nuclear repulsion energy	121.246278

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3810	3638	67.89
2	A'	3215	3070	2.75
3	A'	3087	2948	1.23
4	A'	1858	1774	370.04
5	A'	1471	1405	15.80
6	A'	1422	1358	102.00
7	A'	1348	1287	38.95
8	A'	1223	1168	206.91
9	A'	1006	960	48.83
10	A'	885	845	2.99
11	A'	588	561	43.06
12	A'	424	405	4.77
13	A"	3164	3021	2.08
14	A"	1478	1411	12.15
15	A"	1066	1017	8.92
16	A"	678	647	109.15
17	A"	550	525	25.98
18	A"	68	65	0.37

Atom	x (Å)	y (Å)	z (Å)
C1	1.055	-0.912	0.000
C2	0.000	0.151	0.000
O3	0.194	1.345	0.000
H4	2.040	-0.449	0.000
H5	0.940	-1.550	0.881
H6	0.940	-1.550	-0.881
O7	-1.242	-0.376	0.000
H8	-1.863	0.368	0.000

	C1	C2	O3	H4	H5	H6	O7	H8
C1		1.4982	2.4158	1.0887	1.0936	1.0936	2.3591	3.1864
C2	1.4982		1.2090	2.1268	2.1338	2.1338	1.3495	1.8751
O3	2.4158	1.2090		2.5743	3.1164	3.1164	2.2412	2.2763
H4	1.0887	2.1268	2.5743		1.7889	1.7889	3.2833	3.9875
H5	1.0936	2.1338	3.1164	1.7889		1.7617	2.6294	3.5082
H6	1.0936	2.1338	3.1164	1.7889	1.7617		2.6294	3.5082
O7	2.3591	1.3495	2.2412	3.2833	2.6294	2.6294		0.9690
H8	3.1864	1.8751	2.2763	3.9875	3.5082	3.5082	0.9690

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	126.011	C1	C2	O7	111.765
C2	C1	H4	109.580	C2	C1	H5	109.848
C2	C1	H6	109.848	C2	O7	H8	106.798
O3	C2	O7	122.224	H4	C1	H5	110.117
H4	C1	H6	110.117	H5	C1	H6	107.303

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

using model chemistry: HSEh1PBE/6-31+G**

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	-0.500
2	C	0.410
3	O	-0.456
4	H	0.202
5	H	0.202
6	H	0.202
7	O	-0.429
8	H	0.370

	x	y	z	Total
	-0.335	-1.770	0.000	1.802
CHELPG
AIM
ESP

	x	y	z
x	4.989	-0.026	0.000
y	-0.026	5.394	0.000
z	0.000	0.000	3.449

<r²>	70.952
(<r²>)^1/2	8.423

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

using model chemistry: HSEh1PBE/6-31+G**

States and conformations

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