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	hartrees
Energy at 0K	-302.279418
Energy at 298.15K	-302.282602
HF Energy	-301.484814
Nuclear repulsion energy	162.973833

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3828	3589	97.84
2	A'	3138	2942	32.38
3	A'	1942	1821	159.24
4	A'	1849	1734	87.03
5	A'	1443	1353	345.59
6	A'	1396	1309	28.58
7	A'	1270	1191	15.56
8	A'	918	861	51.41
9	A'	698	654	17.88
10	A'	520	488	6.22
11	A'	298	280	33.18
12	A"	1010	947	3.54
13	A"	671	629	84.15
14	A"	572	536	55.28
15	A"	174	164	25.90

Atom	x (Å)	y (Å)
C1	-0.752	-0.751
C2	0.000	0.579
O3	-0.147	-1.803
O4	-0.582	1.633
O5	1.332	0.445
H6	-1.845	-0.675
H7	1.531	-0.504

	C1	C2	O3	O4	O5	H6	H7
C1		1.5279	1.2137	2.3903	2.4025	1.0957	2.2959
C2	1.5279		2.3866	1.2041	1.3387	2.2309	1.8752
O3	1.2137	2.3866		3.4637	2.6904	2.0388	2.1215
O4	2.3903	1.2041	3.4637		2.2529	2.6311	3.0053
O5	2.4025	1.3387	2.6904	2.2529		3.3684	0.9694
H6	1.0957	2.2309	2.0388	2.6311	3.3684		3.3800
H7	2.2959	1.8752	2.1215	3.0053	0.9694	3.3800

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	121.614	C1	C2	O5	113.719
C2	C1	O3	120.606	C2	C1	H6	115.503
C2	O5	H7	107.593	O3	C1	H6	123.891
O4	C2	O5	124.667

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

using model chemistry: CCD/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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