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	hartrees
Energy at 0K	-301.663103
Energy at 298.15K	-301.666309
HF Energy	-301.663103
Nuclear repulsion energy	164.759003

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3368	3331	145.96
2	A'	2916	2884	36.04
3	A'	1843	1823	210.51
4	A'	1776	1756	58.44
5	A'	1378	1363	317.23
6	A'	1275	1261	9.27
7	A'	1206	1193	16.95
8	A'	896	886	41.42
9	A'	686	679	10.67
10	A'	489	484	3.54
11	A'	294	291	44.67
12	A"	982	972	4.82
13	A"	787	778	80.50
14	A"	570	564	9.92
15	A"	184	182	22.79

Atom	x (Å)	y (Å)
C1	-0.750	-0.730
C2	0.000	0.584
O3	-0.132	-1.765
O4	-0.555	1.649
O5	1.306	0.384
H6	-1.861	-0.667
H7	1.405	-0.607

	C1	C2	O3	O4	O5	H6	H7
C1		1.5130	1.2060	2.3864	2.3387	1.1129	2.1585
C2	1.5130		2.3528	1.2003	1.3212	2.2426	1.8417
O3	1.2060	2.3528		3.4397	2.5858	2.0490	1.9239
O4	2.3864	1.2003	3.4397		2.2495	2.6586	2.9877
O5	2.3387	1.3212	2.5858	2.2495		3.3372	0.9962
H6	1.1129	2.2426	2.0490	2.6586	3.3372		3.2666
H7	2.1585	1.8417	1.9239	2.9877	0.9962	3.2666

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	122.753	C1	C2	O5	111.028
C2	C1	O3	119.409	C2	C1	H6	116.479
C2	O5	H7	104.388	O3	C1	H6	124.111
O4	C2	O5	126.219

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

using model chemistry: LSDA/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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Number	Element	Mulliken
1	C	0.076
2	C	0.161
3	O	-0.188
4	O	-0.215
5	O	-0.155
6	H	0.106
7	H	0.215

	x	y	z	Total
	-0.450	-1.981	0.000	2.031
CHELPG
AIM
ESP

	x	y	z
x	5.432	-0.551	0.000
y	-0.551	5.980	0.000
z	0.000	0.000	2.842

<r²>	97.222
(<r²>)^1/2	9.860