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	hartrees
Energy at 0K	-301.625600
Energy at 298.15K	-301.628817
HF Energy	-301.625600
Nuclear repulsion energy	164.651249

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3378	3336	150.87
2	A'	2919	2883	40.09
3	A'	1853	1831	199.37
4	A'	1779	1757	68.15
5	A'	1381	1364	333.26
6	A'	1273	1257	8.33
7	A'	1205	1190	9.53
8	A'	893	882	39.76
9	A'	691	682	11.62
10	A'	491	485	3.57
11	A'	300	297	44.82
12	A"	976	964	4.33
13	A"	785	775	89.91
14	A"	571	564	13.01
15	A"	188	186	21.90

Atom	x (Å)	y (Å)
C1	-0.751	-0.731
C2	0.000	0.587
O3	-0.129	-1.766
O4	-0.555	1.651
O5	1.306	0.383
H6	-1.864	-0.669
H7	1.399	-0.608

	C1	C2	O3	O4	O5	H6	H7
C1		1.5169	1.2070	2.3899	2.3398	1.1142	2.1538
C2	1.5169		2.3559	1.2002	1.3219	2.2470	1.8397
O3	1.2070	2.3559		3.4428	2.5844	2.0520	1.9174
O4	2.3899	1.2002	3.4428		2.2520	2.6629	2.9869
O5	2.3398	1.3219	2.5844	2.2520		3.3398	0.9957
H6	1.1142	2.2470	2.0520	2.6629	3.3398		3.2633
H7	2.1538	1.8397	1.9174	2.9869	0.9957	3.2633

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	122.752	C1	C2	O5	110.836
C2	C1	O3	119.306	C2	C1	H6	116.469
C2	O5	H7	104.205	O3	C1	H6	124.224
O4	C2	O5	126.412

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

using model chemistry: LSDA/6-311G**

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	0.235
3	O	-0.235
4	O	-0.256
5	O	-0.233
6	H	0.155
7	H	0.257

	x	y	z	Total
	-0.500	-2.012	0.000	2.073
CHELPG
AIM
ESP

	x	y	z
x	5.054	-0.645	0.000
y	-0.645	5.476	0.000
z	0.000	0.000	2.353

<r²>	97.318
(<r²>)^1/2	9.865