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	hartrees
Energy at 0K	-302.672274
Energy at 298.15K	-302.675505
HF Energy	-301.597587
Nuclear repulsion energy	163.788187

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3694	3507	119.93
2	A'	3096	2940	32.15
3	A'	1850	1757	163.41
4	A'	1752	1664	63.61
5	A'	1409	1338	302.53
6	A'	1376	1306	25.82
7	A'	1240	1177	13.20
8	A'	910	864	52.90
9	A'	696	661	13.39
10	A'	512	486	4.79
11	A'	289	274	34.86
12	A"	1042	990	3.03
13	A"	715	679	76.58
14	A"	597	567	26.78
15	A"	181	172	24.42

Atom	x (Å)	y (Å)
C1	-0.746	-0.741
C2	0.000	0.579
O3	-0.147	-1.794
O4	-0.572	1.636
O5	1.323	0.429
H6	-1.834	-0.664
H7	1.482	-0.530

	C1	C2	O3	O4	O5	H6	H7
C1		1.5161	1.2116	2.3828	2.3769	1.0907	2.2376
C2	1.5161		2.3773	1.2018	1.3314	2.2156	1.8508
O3	1.2116	2.3773		3.4558	2.6648	2.0307	2.0610
O4	2.3828	1.2018	3.4558		2.2467	2.6231	2.9850
O5	2.3769	1.3314	2.6648	2.2467		3.3409	0.9725
H6	1.0907	2.2156	2.0307	2.6231	3.3409		3.3184
H7	2.2376	1.8508	2.0610	2.9850	0.9725	3.3184

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	122.078	C1	C2	O5	113.020
C2	C1	O3	120.869	C2	C1	H6	115.441
C2	O5	H7	105.854	O3	C1	H6	123.689
O4	C2	O5	124.902

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

using model chemistry: MP2=FULL/cc-pVTZ

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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