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	hartrees
Energy at 0K	-302.293863
Energy at 298.15K	-302.297048
HF Energy	-301.481869
Nuclear repulsion energy	162.570173

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3736	3491	107.02
2	A'	3136	2931	35.80
3	A'	1860	1738	132.17
4	A'	1751	1636	53.22
5	A'	1418	1325	324.97
6	A'	1382	1291	25.41
7	A'	1245	1164	17.86
8	A'	909	849	52.44
9	A'	688	643	14.38
10	A'	508	475	5.03
11	A'	296	276	34.09
12	A"	1009	942	2.91
13	A"	704	658	93.31
14	A"	571	533	36.37
15	A"	182	170	24.11

Atom	x (Å)	y (Å)
C1	-0.754	-0.742
C2	0.000	0.581
O3	-0.147	-1.806
O4	-0.576	1.650
O5	1.332	0.427
H6	-1.847	-0.665
H7	1.499	-0.533

	C1	C2	O3	O4	O5	H6	H7
C1		1.5228	1.2247	2.3983	2.3916	1.0954	2.2628
C2	1.5228		2.3911	1.2139	1.3409	2.2278	1.8675
O3	1.2247	2.3911		3.4818	2.6785	2.0470	2.0808
O4	2.3983	1.2139	3.4818		2.2658	2.6408	3.0113
O5	2.3916	1.3409	2.6785	2.2658		3.3614	0.9746
H6	1.0954	2.2278	2.0470	2.6408	3.3614		3.3485
H7	2.2628	1.8675	2.0808	3.0113	0.9746	3.3485

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	122.006	C1	C2	O5	113.109
C2	C1	O3	120.603	C2	C1	H6	115.654
C2	O5	H7	106.437	O3	C1	H6	123.743
O4	C2	O5	124.886

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

using model chemistry: MP2=FULL/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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