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	hartrees
Energy at 0K	-229.044381
Energy at 298.15K	-229.049095
HF Energy	-229.044381
Nuclear repulsion energy	120.644119

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3680	3632	41.22
2	A'	3114	3073	6.70
3	A'	2999	2960	2.99
4	A'	1770	1747	319.41
5	A'	1445	1426	16.76
6	A'	1371	1353	36.91
7	A'	1302	1285	25.14
8	A'	1166	1150	204.05
9	A'	968	956	85.05
10	A'	833	822	5.40
11	A'	570	563	32.15
12	A'	417	411	4.55
13	A"	3060	3020	5.61
14	A"	1449	1430	8.34
15	A"	1038	1024	5.81
16	A"	655	646	85.06
17	A"	532	525	21.71
18	A"	51	50	0.20

Atom	x (Å)	y (Å)	z (Å)
C1	1.075	-0.899	0.000
C2	0.000	0.158	0.000
O3	0.175	1.354	0.000
H4	2.055	-0.425	0.000
H5	0.968	-1.539	0.881
H6	0.968	-1.539	-0.881
O7	-1.246	-0.402	0.000
H8	-1.875	0.338	0.000

	C1	C2	O3	H4	H5	H6	O7	H8
C1		1.5073	2.4256	1.0889	1.0942	1.0942	2.3731	3.1991
C2	1.5073		1.2086	2.1362	2.1430	2.1430	1.3655	1.8840
O3	2.4256	1.2086		2.5881	3.1263	3.1263	2.2581	2.2880
H4	1.0889	2.1362	2.5881		1.7890	1.7890	3.3008	4.0039
H5	1.0942	2.1430	3.1263	1.7890		1.7614	2.6397	3.5189
H6	1.0942	2.1430	3.1263	1.7890	1.7614		2.6397	3.5189
O7	2.3731	1.3655	2.2581	3.3008	2.6397	2.6397		0.9715
H8	3.1991	1.8840	2.2880	4.0039	3.5189	3.5189	0.9715

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	126.186	C1	C2	O7	111.300
C2	C1	H4	109.682	C2	C1	H5	109.904
C2	C1	H6	109.904	C2	O7	H8	106.218
O3	C2	O7	122.514	H4	C1	H5	110.064
H4	C1	H6	110.064	H5	C1	H6	107.190

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

using model chemistry: B97D3/6-311+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	-0.290
2	C	0.815
3	O	-0.696
4	H	0.143
5	H	0.141
6	H	0.141
7	O	-0.497
8	H	0.242

	x	y	z	Total
	-0.242	-1.714	0.000	1.731
CHELPG
AIM
ESP

	x	y	z
x	5.817	-0.177	0.000
y	-0.177	5.880	0.000
z	0.000	0.000	3.970

<r²>	71.534
(<r²>)^1/2	8.458

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

using model chemistry: B97D3/6-311+G(3df,2p)

States and conformations

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