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	hartrees
Energy at 0K	-59.966263
Energy at 298.15K	-59.969339
HF Energy	-59.214066
Nuclear repulsion energy	86.177713

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3657	3472	103.35
2	A'	3112	2955	41.54
3	A'	1824	1732	162.83
4	A'	1724	1637	81.54
5	A'	1403	1332	354.72
6	A'	1337	1269	22.58
7	A'	1221	1159	7.69
8	A'	888	843	55.98
9	A'	672	638	14.15
10	A'	494	469	5.59
11	A'	281	266	32.52
12	A"	984	934	4.39
13	A"	671	637	97.85
14	A"	555	527	41.66
15	A"	171	163	28.28

Atom	x (Å)	y (Å)
C1	-0.761	-0.765
C2	0.000	0.589
O3	-0.145	-1.838
O4	-0.593	1.664
O5	1.349	0.456
H6	-1.868	-0.690
H7	1.537	-0.513

	C1	C2	O3	O4	O5	H6	H7
C1		1.5530	1.2381	2.4346	2.4379	1.1093	2.3113
C2	1.5530		2.4317	1.2277	1.3560	2.2638	1.8909
O3	1.2381	2.4317		3.5310	2.7377	2.0708	2.1406
O4	2.4346	1.2277	3.5310		2.2874	2.6773	3.0453
O5	2.4379	1.3560	2.7377	2.2874		3.4152	0.9867
H6	1.1093	2.2638	2.0708	2.6773	3.4152		3.4089
H7	2.3113	1.8909	2.1406	3.0453	0.9867	3.4089

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	121.788	C1	C2	O5	113.701
C2	C1	O3	120.794	C2	C1	H6	115.486
C2	O5	H7	106.570	O3	C1	H6	123.720
O4	C2	O5	124.511

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

using model chemistry: MP2/CEP-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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