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	hartrees
Energy at 0K	-227.749689
Energy at 298.15K	-227.754387
Nuclear repulsion energy	118.222457

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3288	3270	0.80
2	A'	3105	3088	7.24
3	A'	3002	2985	1.66
4	A'	1717	1708	157.19
5	A'	1497	1489	20.66
6	A'	1402	1394	29.09
7	A'	1323	1315	15.73
8	A'	1131	1125	137.70
9	A'	946	941	118.87
10	A'	794	790	2.65
11	A'	537	534	34.81
12	A'	391	389	3.69
13	A"	3053	3036	5.72
14	A"	1509	1501	10.10
15	A"	1069	1063	7.76
16	A"	663	659	110.46
17	A"	534	531	21.94
18	A"	74	74	1.33

Atom	x (Å)	y (Å)	z (Å)
C1	1.165	-0.809	0.000
C2	0.000	0.173	0.000
O3	0.038	1.408	0.000
H4	2.110	-0.254	0.000
H5	1.103	-1.457	0.889
H6	1.103	-1.457	-0.889
O7	-1.207	-0.552	0.000
H8	-1.953	0.133	0.000

	C1	C2	O3	H4	H5	H6	O7	H8
C1		1.5241	2.4878	1.0964	1.1016	1.1016	2.3862	3.2576
C2	1.5241		1.2358	2.1532	2.1593	2.1593	1.4083	1.9535
O3	2.4878	1.2358		2.6567	3.1832	3.1832	2.3224	2.3645
H4	1.0964	2.1532	2.6567		1.8036	1.8036	3.3310	4.0819
H5	1.1016	2.1593	3.1832	1.8036		1.7783	2.6351	3.5574
H6	1.1016	2.1593	3.1832	1.8036	1.7783		2.6351	3.5574
O7	2.3862	1.4083	2.3224	3.3310	2.6351	2.6351		1.0128
H8	3.2576	1.9535	2.3645	4.0819	3.5574	3.5574	1.0128

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	128.381	C1	C2	O7	108.864
C2	C1	H4	109.418	C2	C1	H5	109.598
C2	C1	H6	109.598	C2	O7	H8	106.440
O3	C2	O7	122.756	H4	C1	H5	110.283
H4	C1	H6	110.283	H5	C1	H6	107.637

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

using model chemistry: BLYP/3-21G

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	-0.586
2	C	0.531
3	O	-0.436
4	H	0.211
5	H	0.219
6	H	0.219
7	O	-0.495
8	H	0.336

	x	y	z	Total
	-0.272	-1.281	0.000	1.310
CHELPG
AIM
ESP

<r²>	73.256
(<r²>)^1/2	8.559

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

using model chemistry: BLYP/3-21G

States and conformations

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