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	hartrees
Energy at 0K	-302.529899
Energy at 298.15K	-302.533011
HF Energy	-301.585456
Nuclear repulsion energy	162.910560

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3710	3535	115.87
2	A'	3093	2946	32.40
3	A'	1828	1742	170.20
4	A'	1737	1655	65.39
5	A'	1390	1325	84.24
6	A'	1382	1317	249.28
7	A'	1216	1159	5.16
8	A'	893	851	55.06
9	A'	688	656	13.44
10	A'	508	484	5.45
11	A'	283	269	32.37
12	A"	994	947	2.23
13	A"	663	631	73.35
14	A"	548	522	53.91
15	A"	162	155	25.47

Atom	x (Å)	y (Å)
C1	-0.751	-0.750
C2	0.000	0.581
O3	-0.151	-1.806
O4	-0.575	1.640
O5	1.331	0.441
H6	-1.845	-0.673
H7	1.508	-0.516

	C1	C2	O3	O4	O5	H6	H7
C1		1.5279	1.2149	2.3962	2.3987	1.0964	2.2711
C2	1.5279		2.3914	1.2052	1.3384	2.2303	1.8648
O3	1.2149	2.3914		3.4719	2.6916	2.0383	2.1009
O4	2.3962	1.2052	3.4719		2.2517	2.6382	2.9981
O5	2.3987	1.3384	2.6916	2.2517		3.3655	0.9738
H6	1.0964	2.2303	2.0383	2.6382	3.3655		3.3564
H7	2.2711	1.8648	2.1009	2.9981	0.9738	3.3564

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	122.057	C1	C2	O5	113.459
C2	C1	O3	120.934	C2	C1	H6	115.405
C2	O5	H7	106.450	O3	C1	H6	123.661
O4	C2	O5	124.484

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

using model chemistry: MP2=FULL/TZVP

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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