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	hartrees
Energy at 0K	-226.012280
Energy at 298.15K	-226.016718
Nuclear repulsion energy	116.651898

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3686	3289	19.28
2	A'	3496	3120	0.25
3	A'	3312	2955	1.06
4	A'	1884	1681	71.32
5	A'	1656	1478	9.32
6	A'	1536	1370	9.04
7	A'	1466	1309	15.20
8	A'	1277	1139	117.70
9	A'	1042	930	25.01
10	A'	858	766	1.22
11	A'	513	458	25.63
12	A'	384	343	3.10
13	A"	3473	3100	0.07
14	A"	1654	1476	4.96
15	A"	1106	987	5.64
16	A"	646	576	70.05
17	A"	517	461	3.42
18	A"	59	53	0.06

Atom	x (Å)	y (Å)	z (Å)
C1	1.159	-0.872	0.000
C2	0.000	0.170	0.000
O3	0.087	1.418	0.000
H4	2.125	-0.347	0.000
H5	1.092	-1.513	0.893
H6	1.092	-1.513	-0.893
O7	-1.256	-0.505	0.000
H8	-1.918	0.283	0.000

	C1	C2	O3	H4	H5	H6	O7	H8
C1		1.5589	2.5293	1.0997	1.1016	1.1016	2.4425	3.2870
C2	1.5589		1.2516	2.1870	2.1965	2.1965	1.4256	1.9214
O3	2.5293	1.2516		2.6961	3.2255	3.2255	2.3461	2.3044
H4	1.0997	2.1870	2.6961		1.7962	1.7962	3.3844	4.0919
H5	1.1016	2.1965	3.2255	1.7962		1.7869	2.7068	3.6176
H6	1.1016	2.1965	3.2255	1.7962	1.7869		2.7068	3.6176
O7	2.4425	1.4256	2.3461	3.3844	2.7068	2.7068		1.0297
H8	3.2870	1.9214	2.3044	4.0919	3.6176	3.6176	1.0297

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	127.966	C1	C2	O7	109.769
C2	C1	H4	109.481	C2	C1	H5	110.112
C2	C1	H6	110.112	C2	O7	H8	101.772
O3	C2	O7	122.265	H4	C1	H5	109.360
H4	C1	H6	109.360	H5	C1	H6	108.395

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

using model chemistry: B3LYP/STO-3G

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	-0.240
2	C	0.209
3	O	-0.221
4	H	0.092
5	H	0.093
6	H	0.093
7	O	-0.221
8	H	0.195

	x	y	z	Total
	-0.292	-0.773	0.000	0.826
CHELPG
AIM
ESP

	x	y	z
x	2.905	-0.127	0.000
y	-0.127	2.795	0.000
z	0.000	0.000	1.189

<r²>	73.883
(<r²>)^1/2	8.596

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

using model chemistry: B3LYP/STO-3G

States and conformations

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