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	hartrees
Energy at 0K	-228.613010
Energy at 298.15K	-228.617891
HF Energy	-227.837362
Nuclear repulsion energy	121.335749

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3835	3633	60.51
2	A'	3224	3055	3.87
3	A'	3107	2944	1.33
4	A'	1883	1784	274.05
5	A'	1502	1423	11.87
6	A'	1449	1373	69.06
7	A'	1381	1308	15.52
8	A'	1246	1181	204.14
9	A'	1022	968	49.60
10	A'	883	837	2.14
11	A'	591	560	44.06
12	A'	420	398	3.58
13	A"	3184	3016	3.06
14	A"	1506	1427	6.95
15	A"	1088	1030	7.97
16	A"	683	647	96.09
17	A"	556	526	22.91
18	A"	93	88	0.27

Atom	x (Å)	y (Å)	z (Å)
C1	0.975	-0.999	0.000
C2	0.000	0.145	0.000
O3	0.314	1.314	0.000
H4	1.972	-0.571	0.000
H5	0.833	-1.628	0.883
H6	0.833	-1.628	-0.883
O7	-1.278	-0.265	0.000
H8	-1.775	0.558	0.000

	C1	C2	O3	H4	H5	H6	O7	H8
C1		1.5035	2.4062	1.0852	1.0926	1.0926	2.3690	3.1605
C2	1.5035		1.2102	2.0982	2.1484	2.1484	1.3419	1.8225
O3	2.4062	1.2102		2.5110	3.1149	3.1149	2.2420	2.2213
H4	1.0852	2.0982	2.5110		1.7869	1.7869	3.2640	3.9137
H5	1.0926	2.1484	3.1149	1.7869		1.7651	2.6624	3.5154
H6	1.0926	2.1484	3.1149	1.7869	1.7651		2.6624	3.5154
O7	2.3690	1.3419	2.2420	3.2640	2.6624	2.6624		0.9622
H8	3.1605	1.8225	2.2213	3.9137	3.5154	3.5154	0.9622

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	124.561	C1	C2	O7	112.601
C2	C1	H4	107.180	C2	C1	H5	110.697
C2	C1	H6	110.697	C2	O7	H8	103.318
O3	C2	O7	122.837	H4	C1	H5	110.268
H4	C1	H6	110.268	H5	C1	H6	107.749

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

using model chemistry: QCISD/6-31G(2df,p)

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

using model chemistry: QCISD/6-31G(2df,p)

States and conformations

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