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	hartrees
Energy at 0K	-228.895236
Energy at 298.15K	-228.899977
Nuclear repulsion energy	120.367004

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3638	3605	33.97
2	A'	3111	3082	4.94
3	A'	2994	2967	1.78
4	A'	1784	1768	277.80
5	A'	1423	1410	15.63
6	A'	1356	1344	68.28
7	A'	1299	1287	10.93
8	A'	1168	1158	206.73
9	A'	957	948	61.93
10	A'	843	835	3.95
11	A'	568	563	37.91
12	A'	409	406	3.96
13	A"	3060	3032	4.46
14	A"	1425	1412	11.33
15	A"	1024	1014	7.54
16	A"	672	666	93.71
17	A"	530	525	18.30
18	A"	69	68	0.71

Atom	x (Å)	y (Å)	z (Å)
C1	1.073	-0.902	0.000
C2	0.000	0.157	0.000
O3	0.175	1.359	0.000
H4	2.059	-0.425	0.000
H5	0.966	-1.546	0.885
H6	0.966	-1.546	-0.885
O7	-1.246	-0.405	0.000
H8	-1.866	0.352	0.000

	C1	C2	O3	H4	H5	H6	O7	H8
C1		1.5082	2.4325	1.0949	1.1000	1.1000	2.3719	3.1960
C2	1.5082		1.2139	2.1394	2.1491	2.1491	1.3667	1.8765
O3	2.4325	1.2139		2.5937	3.1379	3.1379	2.2646	2.2765
H4	1.0949	2.1394	2.5937		1.7987	1.7987	3.3046	4.0012
H5	1.1000	2.1491	3.1379	1.7987		1.7704	2.6417	3.5224
H6	1.1000	2.1491	3.1379	1.7987	1.7704		2.6417	3.5224
O7	2.3719	1.3667	2.2646	3.3046	2.6417	2.6417		0.9783
H8	3.1960	1.8765	2.2765	4.0012	3.5224	3.5224	0.9783

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	126.324	C1	C2	O7	111.091
C2	C1	H4	109.526	C2	C1	H5	109.990
C2	C1	H6	109.990	C2	O7	H8	105.090
O3	C2	O7	122.586	H4	C1	H5	110.070
H4	C1	H6	110.070	H5	C1	H6	107.168

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

using model chemistry: PBEPBE/6-311G**

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	-0.347
2	C	0.244
3	O	-0.303
4	H	0.152
5	H	0.152
6	H	0.152
7	O	-0.289
8	H	0.241

	x	y	z	Total
	-0.373	-1.504	0.000	1.549
CHELPG
AIM
ESP

	x	y	z
x	5.045	-0.214	0.000
y	-0.214	5.008	0.000
z	0.000	0.000	3.113

<r²>	71.544
(<r²>)^1/2	8.458

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

using model chemistry: PBEPBE/6-311G**

States and conformations

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