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	hartrees
Energy at 0K	-301.873766
Energy at 298.15K	-301.876815
HF Energy	-301.315586
Nuclear repulsion energy	159.796340

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3626	3479	71.58
2	A'	3096	2971	23.35
3	A'	1796	1723	99.40
4	A'	1693	1624	41.25
5	A'	1376	1320	8.86
6	A'	1325	1271	345.65
7	A'	1227	1178	5.46
8	A'	863	829	66.15
9	A'	671	644	14.46
10	A'	515	494	6.23
11	A'	290	278	32.61
12	A"	954	915	6.46
13	A"	603	579	105.75
14	A"	528	506	107.66
15	A"	171	164	27.38

Atom	x (Å)	y (Å)
C1	-0.785	-0.739
C2	0.000	0.571
O3	-0.188	-1.833
O4	-0.564	1.667
O5	1.371	0.436
H6	-1.880	-0.647
H7	1.644	-0.508

	C1	C2	O3	O4	O5	H6	H7
C1		1.5269	1.2461	2.4154	2.4547	1.0992	2.4399
C2	1.5269		2.4111	1.2324	1.3775	2.2406	1.9664
O3	1.2461	2.4111		3.5195	2.7524	2.0657	2.2613
O4	2.4154	1.2324	3.5195		2.2937	2.6621	3.0993
O5	2.4547	1.3775	2.7524	2.2937		3.4267	0.9820
H6	1.0992	2.2406	2.0657	2.6621	3.4267		3.5271
H7	2.4399	1.9664	2.2613	3.0993	0.9820	3.5271

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	121.813	C1	C2	O5	115.285
C2	C1	O3	120.468	C2	C1	H6	116.174
C2	O5	H7	111.803	O3	C1	H6	123.358
O4	C2	O5	122.903

All results from a given calculation for CHOCOOH (oxo acetic acid)

using model chemistry: CCD/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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