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	hartrees
Energy at 0K	-227.812190
Energy at 298.15K	-227.817002
Nuclear repulsion energy	119.534186

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3471	3339	9.94
2	A'	3186	3065	4.97
3	A'	3079	2962	0.76
4	A'	1797	1728	189.16
5	A'	1531	1473	21.15
6	A'	1446	1391	39.55
7	A'	1374	1322	27.37
8	A'	1177	1132	175.09
9	A'	997	959	108.09
10	A'	837	805	1.92
11	A'	563	542	42.54
12	A'	405	390	3.85
13	A"	3134	3015	3.46
14	A"	1543	1484	11.31
15	A"	1106	1064	11.08
16	A"	674	649	125.47
17	A"	553	532	29.94
18	A"	91	88	1.25

Atom	x (Å)	y (Å)	z (Å)
C1	1.144	-0.816	0.000
C2	0.000	0.168	0.000
O3	0.057	1.390	0.000
H4	2.090	-0.276	0.000
H5	1.074	-1.459	0.883
H6	1.074	-1.459	-0.883
O7	-1.202	-0.522	0.000
H8	-1.942	0.147	0.000

	C1	C2	O3	H4	H5	H6	O7	H8
C1		1.5091	2.4595	1.0892	1.0943	1.0943	2.3647	3.2334
C2	1.5091		1.2235	2.1361	2.1400	2.1400	1.3862	1.9426
O3	2.4595	1.2235		2.6276	3.1511	3.1511	2.2897	2.3545
H4	1.0892	2.1361	2.6276		1.7920	1.7920	3.3011	4.0541
H5	1.0943	2.1400	3.1511	1.7920		1.7660	2.6151	3.5296
H6	1.0943	2.1400	3.1511	1.7920	1.7660		2.6151	3.5296
O7	2.3647	1.3862	2.2897	3.3011	2.6151	2.6151		0.9979
H8	3.2334	1.9426	2.3545	4.0541	3.5296	3.5296	0.9979

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	128.018	C1	C2	O7	109.446
C2	C1	H4	109.528	C2	C1	H5	109.536
C2	C1	H6	109.536	C2	O7	H8	108.026
O3	C2	O7	122.536	H4	C1	H5	110.310
H4	C1	H6	110.310	H5	C1	H6	107.594

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

using model chemistry: B3LYP/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	-0.627
2	C	0.596
3	O	-0.473
4	H	0.226
5	H	0.235
6	H	0.235
7	O	-0.551
8	H	0.359

	x	y	z	Total
	-0.291	-1.363	0.000	1.394
CHELPG
AIM
ESP

	x	y	z
x	4.200	-0.125	0.000
y	-0.125	4.148	0.000
z	0.000	0.000	2.293

<r²>	72.029
(<r²>)^1/2	8.487

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

using model chemistry: B3LYP/3-21G*

States and conformations

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