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	hartrees
Energy at 0K	-302.292765
Energy at 298.15K	-302.295925
HF Energy	-301.483449
Nuclear repulsion energy	162.588011

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3787	3565	93.71
2	A'	3123	2940	36.65
3	A'	1904	1793	143.60
4	A'	1805	1700	106.89
5	A'	1429	1345	338.98
6	A'	1384	1303	21.88
7	A'	1258	1185	12.23
8	A'	907	854	50.34
9	A'	690	650	17.18
10	A'	512	482	5.79
11	A'	296	278	33.54
12	A"	1000	942	3.05
13	A"	679	639	89.74
14	A"	566	533	45.67
15	A"	172	162	25.77

Atom	x (Å)	y (Å)
C1	-0.755	-0.750
C2	0.000	0.582
O3	-0.148	-1.806
O4	-0.579	1.642
O5	1.334	0.439
H6	-1.849	-0.673
H7	1.521	-0.515

	C1	C2	O3	O4	O5	H6	H7
C1		1.5306	1.2187	2.3985	2.4033	1.0966	2.2879
C2	1.5306		2.3927	1.2085	1.3416	2.2341	1.8749
O3	1.2187	2.3927		3.4756	2.6899	2.0443	2.1100
O4	2.3985	1.2085	3.4756		2.2604	2.6402	3.0105
O5	2.4033	1.3416	2.6899	2.2604		3.3712	0.9715
H6	1.0966	2.2341	2.0443	2.6402	3.3712		3.3733
H7	2.2879	1.8749	2.1100	3.0105	0.9715	3.3733

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	121.804	C1	C2	O5	113.433
C2	C1	O3	120.559	C2	C1	H6	115.521
C2	O5	H7	107.208	O3	C1	H6	123.920
O4	C2	O5	124.764

All results from a given calculation for CHOCOOH (oxo 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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