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	hartrees
Energy at 0K	-227.877964
Energy at 298.15K	-227.883011
Nuclear repulsion energy	122.731856

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	4119	3742	109.06
2	A'	3303	3001	11.64
3	A'	3193	2901	3.78
4	A'	2021	1837	450.74
5	A'	1587	1442	14.18
6	A'	1548	1407	88.41
7	A'	1461	1327	36.01
8	A'	1345	1222	256.01
9	A'	1100	1000	58.53
10	A'	933	848	2.06
11	A'	642	583	56.21
12	A'	454	412	3.91
13	A"	3257	2959	11.85
14	A"	1594	1448	8.32
15	A"	1171	1064	13.01
16	A"	715	649	119.97
17	A"	583	530	41.26
18	A"	101	92	0.23

Atom	x (Å)	y (Å)	z (Å)
C1	1.027	-0.938	0.000
C2	0.000	0.157	0.000
O3	0.226	1.316	0.000
H4	2.016	-0.506	0.000
H5	0.889	-1.562	0.876
H6	0.889	-1.562	-0.876
O7	-1.240	-0.327	0.000
H8	-1.843	0.401	0.000

	C1	C2	O3	H4	H5	H6	O7	H8
C1		1.5007	2.3920	1.0796	1.0842	1.0842	2.3472	3.1669
C2	1.5007		1.1812	2.1223	2.1237	2.1237	1.3307	1.8593
O3	2.3920	1.1812		2.5546	3.0805	3.0805	2.2017	2.2623
H4	1.0796	2.1223	2.5546		1.7757	1.7757	3.2608	3.9646
H5	1.0842	2.1237	3.0805	1.7757		1.7516	2.6118	3.4761
H6	1.0842	2.1237	3.0805	1.7757	1.7516		2.6118	3.4761
O7	2.3472	1.3307	2.2017	3.2608	2.6118	2.6118		0.9458
H8	3.1669	1.8593	2.2623	3.9646	3.4761	3.4761	0.9458

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	125.811	C1	C2	O7	111.853
C2	C1	H4	109.592	C2	C1	H5	109.433
C2	C1	H6	109.433	C2	O7	H8	108.338
O3	C2	O7	122.336	H4	C1	H5	110.296
H4	C1	H6	110.296	H5	C1	H6	107.762

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

using model chemistry: HF/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	-0.251
2	C	0.456
3	O	-0.447
4	H	0.130
5	H	0.124
6	H	0.124
7	O	-0.408
8	H	0.271

	x	y	z	Total
	-0.433	-1.765	0.000	1.817
CHELPG
AIM
ESP

	x	y	z
x	4.058	-0.064	0.000
y	-0.064	4.404	0.000
z	0.000	0.000	2.870

<r²>	69.685
(<r²>)^1/2	8.348

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

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

States and conformations

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