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	hartrees
Energy at 0K	-229.105827
Energy at 298.15K	-229.110619
Nuclear repulsion energy	120.693053

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3756	3621	60.60
2	A'	3181	3068	4.22
3	A'	3064	2954	2.07
4	A'	1822	1757	358.78
5	A'	1476	1423	16.55
6	A'	1413	1363	58.13
7	A'	1336	1288	50.97
8	A'	1206	1163	211.17
9	A'	1002	966	67.65
10	A'	863	832	3.40
11	A'	581	560	40.22
12	A'	422	407	4.77
13	A"	3129	3017	3.69
14	A"	1482	1429	11.14
15	A"	1067	1029	7.50
16	A"	668	644	108.04
17	A"	545	526	26.45
18	A"	68	66	0.34

Atom	x (Å)	y (Å)	z (Å)
C1	1.070	-0.906	0.000
C2	0.000	0.153	0.000
O3	0.182	1.352	0.000
H4	2.051	-0.434	0.000
H5	0.961	-1.545	0.882
H6	0.961	-1.545	-0.882
O7	-1.246	-0.390	0.000
H8	-1.879	0.348	0.000

	C1	C2	O3	H4	H5	H6	O7	H8
C1		1.5057	2.4269	1.0893	1.0943	1.0943	2.3728	3.2048
C2	1.5057		1.2128	2.1336	2.1412	2.1412	1.3591	1.8891
O3	2.4269	1.2128		2.5854	3.1272	3.1272	2.2523	2.2922
H4	1.0893	2.1336	2.5854		1.7895	1.7895	3.2976	4.0074
H5	1.0943	2.1412	3.1272	1.7895		1.7634	2.6424	3.5253
H6	1.0943	2.1412	3.1272	1.7895	1.7634		2.6424	3.5253
O7	2.3728	1.3591	2.2523	3.2976	2.6424	2.6424		0.9724
H8	3.2048	1.8891	2.2922	4.0074	3.5253	3.5253	0.9724

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	126.098	C1	C2	O7	111.740
C2	C1	H4	109.562	C2	C1	H5	109.871
C2	C1	H6	109.871	C2	O7	H8	107.074
O3	C2	O7	122.162	H4	C1	H5	110.074
H4	C1	H6	110.074	H5	C1	H6	107.361

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

using model chemistry: B3LYP/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	ESP
1	C	-0.448	-0.399
2	C	0.433	0.794
3	O	-0.462	-0.579
4	H	0.183	0.116
5	H	0.183	0.135
6	H	0.183	0.135
7	O	-0.435	-0.629
8	H	0.363	0.428

	x	y	z	Total
	-0.280	-1.771	0.000	1.793
CHELPG
AIM
ESP	-0.272	-1.785	0.000	1.806

	x	y	z
x	5.114	-0.037	0.000
y	-0.037	5.479	0.000
z	0.000	0.000	3.505

<r²>	71.631
(<r²>)^1/2	8.463

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

using model chemistry: B3LYP/6-31+G**

States and conformations

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