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	hartrees
Energy at 0K	-302.303791
Energy at 298.15K	-302.306903
HF Energy	-301.471175
Nuclear repulsion energy	161.704351

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3596	3434
2	A'	3051	2913
3	A'	1827	1744
4	A'	1717	1640
5	A'	1413	1349
6	A'	1354	1293
7	A'	1233	1178
8	A'	886	846
9	A'	674	644
10	A'	496	474
11	A'	293	280
12	A"	974	930
13	A"	697	665
14	A"	550	525
15	A"	175	167

Atom	x (Å)	y (Å)
C1	-0.758	-0.748
C2	0.000	0.585
O3	-0.150	-1.815
O4	-0.577	1.658
O5	1.339	0.431
H6	-1.860	-0.671
H7	1.512	-0.539

	C1	C2	O3	O4	O5	H6	H7
C1		1.5331	1.2290	2.4122	2.4053	1.1051	2.2791
C2	1.5331		2.4051	1.2184	1.3480	2.2445	1.8835
O3	1.2290	2.4051		3.4995	2.6946	2.0585	2.0951
O4	2.4122	1.2184	3.4995		2.2758	2.6585	3.0313
O5	2.4053	1.3480	2.6946	2.2758		3.3837	0.9845
H6	1.1051	2.2445	2.0585	2.6585	3.3837		3.3745
H7	2.2791	1.8835	2.0951	3.0313	0.9845	3.3745

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	122.078	C1	C2	O5	113.052
C2	C1	O3	120.699	C2	C1	H6	115.636
C2	O5	H7	106.667	O3	C1	H6	123.665
O4	C2	O5	124.870

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

using model chemistry: MP4/6-31G*

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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