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	hartrees
Energy at 0K	-228.443918
Energy at 298.15K	-228.448791
HF Energy	-227.807405
Nuclear repulsion energy	120.639822

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3710	3533	52.75
2	A'	3208	3055	5.67
3	A'	3093	2946	2.10
4	A'	1878	1788	270.67
5	A'	1526	1453	12.57
6	A'	1468	1398	67.91
7	A'	1395	1328	24.55
8	A'	1256	1196	213.55
9	A'	1035	986	55.65
10	A'	886	844	2.25
11	A'	589	561	46.99
12	A'	425	405	4.32
13	A"	3167	3016	5.10
14	A"	1524	1452	8.76
15	A"	1100	1048	8.12
16	A"	687	654	124.08
17	A"	552	526	20.93
18	A"	93	88	0.39

Atom	x (Å)	y (Å)	z (Å)
C1	1.000	-0.981	0.000
C2	0.000	0.145	0.000
O3	0.285	1.331	0.000
H4	1.991	-0.528	0.000
H5	0.873	-1.615	0.886
H6	0.873	-1.615	-0.886
O7	-1.276	-0.299	0.000
H8	-1.806	0.519	0.000

	C1	C2	O3	H4	H5	H6	O7	H8
C1		1.5057	2.4205	1.0890	1.0967	1.0967	2.3761	3.1820
C2	1.5057		1.2204	2.1013	2.1545	2.1545	1.3509	1.8446
O3	2.4205	1.2204		2.5237	3.1322	3.1322	2.2569	2.2432
H4	1.0890	2.1013	2.5237		1.7930	1.7930	3.2747	3.9387
H5	1.0967	2.1545	3.1322	1.7930		1.7717	2.6708	3.5375
H6	1.0967	2.1545	3.1322	1.7930	1.7717		2.6708	3.5375
O7	2.3761	1.3509	2.2569	3.2747	2.6708	2.6708		0.9747
H8	3.1820	1.8446	2.2432	3.9387	3.5375	3.5375	0.9747

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	124.891	C1	C2	O7	112.451
C2	C1	H4	107.065	C2	C1	H5	110.787
C2	C1	H6	110.787	C2	O7	H8	103.789
O3	C2	O7	122.658	H4	C1	H5	110.231
H4	C1	H6	110.231	H5	C1	H6	107.758

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

using model chemistry: QCISD/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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All results from a given calculation for CH3COOH (Acetic acid)

using model chemistry: QCISD/6-31G*

States and conformations

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