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	hartrees
Energy at 0K	-229.180254
Energy at 298.15K	-229.185073
Nuclear repulsion energy	121.248643

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3759	3635	61.56
2	A'	3158	3053	4.51
3	A'	3049	2948	1.54
4	A'	1818	1758	345.05
5	A'	1474	1426	16.82
6	A'	1408	1362	45.88
7	A'	1336	1292	34.78
8	A'	1203	1164	215.04
9	A'	999	966	74.50
10	A'	858	830	3.94
11	A'	586	567	37.40
12	A'	424	410	4.66
13	A"	3106	3004	3.60
14	A"	1479	1431	8.78
15	A"	1068	1033	7.55
16	A"	668	646	91.96
17	A"	546	528	25.07
18	A"	74	72	0.16

Atom	x (Å)	y (Å)	z (Å)
C1	1.062	-0.907	0.000
C2	0.000	0.155	0.000
O3	0.188	1.343	0.000
H4	2.043	-0.442	0.000
H5	0.950	-1.544	0.878
H6	0.950	-1.544	-0.878
O7	-1.244	-0.382	0.000
H8	-1.871	0.355	0.000

	C1	C2	O3	H4	H5	H6	O7	H8
C1		1.5024	2.4140	1.0849	1.0900	1.0900	2.3652	3.1934
C2	1.5024		1.2025	2.1284	2.1351	2.1351	1.3547	1.8814
O3	2.4140	1.2025		2.5745	3.1117	3.1117	2.2415	2.2831
H4	1.0849	2.1284	2.5745		1.7824	1.7824	3.2871	3.9940
H5	1.0900	2.1351	3.1117	1.7824		1.7556	2.6329	3.5119
H6	1.0900	2.1351	3.1117	1.7824	1.7556		2.6329	3.5119
O7	2.3652	1.3547	2.2415	3.2871	2.6329	2.6329		0.9681
H8	3.1934	1.8814	2.2831	3.9940	3.5119	3.5119	0.9681

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	126.009	C1	C2	O7	111.645
C2	C1	H4	109.643	C2	C1	H5	109.869
C2	C1	H6	109.869	C2	O7	H8	107.010
O3	C2	O7	122.346	H4	C1	H5	110.076
H4	C1	H6	110.076	H5	C1	H6	107.278

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

using model chemistry: B3LYP/6-311+G(3df,2p)

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	-0.368
2	C	0.819
3	O	-0.697
4	H	0.173
5	H	0.169
6	H	0.169
7	O	-0.529
8	H	0.264

	x	y	z	Total
	-0.269	-1.765	0.000	1.785
CHELPG
AIM
ESP

	x	y	z
x	5.528	-0.146	0.000
y	-0.146	5.667	0.000
z	0.000	0.000	3.854

<r²>	71.087
(<r²>)^1/2	8.431

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

using model chemistry: B3LYP/6-311+G(3df,2p)

States and conformations

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