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	hartrees
Energy at 0K	-302.142824
Energy at 298.15K	-302.146080
HF Energy	-301.478880
Nuclear repulsion energy	164.102565

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3836	3543	123.54
2	A'	3204	2959	28.57
3	A'	2011	1858	186.68
4	A'	1932	1785	155.48
5	A'	1495	1381	379.93
6	A'	1428	1319	23.06
7	A'	1306	1207	23.97
8	A'	951	878	52.48
9	A'	719	664	21.26
10	A'	537	496	7.00
11	A'	309	285	36.15
12	A"	1060	979	3.92
13	A"	689	636	88.38
14	A"	600	554	69.66
15	A"	176	162	31.03

Atom	x (Å)	y (Å)
C1	-0.744	-0.752
C2	0.000	0.577
O3	-0.139	-1.790
O4	-0.585	1.618
O5	1.320	0.450
H6	-1.835	-0.682
H7	1.538	-0.494

	C1	C2	O3	O4	O5	H6	H7
C1		1.5234	1.2015	2.3750	2.3889	1.0931	2.2970
C2	1.5234		2.3712	1.1940	1.3263	2.2256	1.8742
O3	1.2015	2.3712		3.4368	2.6733	2.0258	2.1197
O4	2.3750	1.1940	3.4368		2.2351	2.6174	2.9947
O5	2.3889	1.3263	2.6733	2.2351		3.3522	0.9685
H6	1.0931	2.2256	2.0258	2.6174	3.3522		3.3785
H7	2.2970	1.8742	2.1197	2.9947	0.9685	3.3785

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	121.387	C1	C2	O5	113.740
C2	C1	O3	120.507	C2	C1	H6	115.581
C2	O5	H7	108.513	O3	C1	H6	123.912
O4	C2	O5	124.873

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

using model chemistry: CID/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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