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	hartrees
Energy at 0K	-229.004786
Energy at 298.15K	-229.009606
Nuclear repulsion energy	121.085334

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3790	3632	50.31
2	A'	3204	3071	4.26
3	A'	3078	2950	1.37
4	A'	1871	1793	294.19
5	A'	1477	1416	13.83
6	A'	1424	1365	92.67
7	A'	1356	1299	19.79
8	A'	1222	1171	208.46
9	A'	1001	960	46.48
10	A'	876	840	3.07
11	A'	584	560	44.17
12	A'	420	402	4.67
13	A"	3153	3022	3.66
14	A"	1483	1421	9.60
15	A"	1065	1021	10.61
16	A"	689	660	109.04
17	A"	547	524	20.57
18	A"	76	73	0.61

Atom	x (Å)	y (Å)	z (Å)
C1	1.052	-0.920	0.000
C2	0.000	0.154	0.000
O3	0.200	1.346	0.000
H4	2.040	-0.462	0.000
H5	0.934	-1.557	0.881
H6	0.934	-1.557	-0.881
O7	-1.245	-0.373	0.000
H8	-1.853	0.384	0.000

	C1	C2	O3	H4	H5	H6	O7	H8
C1		1.5030	2.4210	1.0889	1.0937	1.0937	2.3613	3.1833
C2	1.5030		1.2091	2.1307	2.1393	2.1393	1.3524	1.8667
O3	2.4210	1.2091		2.5799	3.1220	3.1220	2.2462	2.2669
H4	1.0889	2.1307	2.5799		1.7885	1.7885	3.2864	3.9830
H5	1.0937	2.1393	3.1220	1.7885		1.7615	2.6321	3.5082
H6	1.0937	2.1393	3.1220	1.7885	1.7615		2.6321	3.5082
O7	2.3613	1.3524	2.2462	3.2864	2.6321	2.6321		0.9702
H8	3.1833	1.8667	2.2669	3.9830	3.5082	3.5082	0.9702

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	126.083	C1	C2	O7	111.470
C2	C1	H4	109.547	C2	C1	H5	109.946
C2	C1	H6	109.946	C2	O7	H8	105.800
O3	C2	O7	122.446	H4	C1	H5	110.053
H4	C1	H6	110.053	H5	C1	H6	107.269

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

using model chemistry: B3PW91/6-31G**

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	-0.457
2	C	0.554
3	O	-0.461
4	H	0.171
5	H	0.170
6	H	0.170
7	O	-0.484
8	H	0.336

	x	y	z	Total
	-0.435	-1.570	0.000	1.629
CHELPG
AIM
ESP

<r²>	70.604
(<r²>)^1/2	8.403

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

using model chemistry: B3PW91/6-31G**

States and conformations

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