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	hartrees
Energy at 0K	-299.777797
Energy at 298.15K	-299.781162
HF Energy	-299.777797
Nuclear repulsion energy	163.871161

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3849	3474	121.14
2	A'	3301	2980	22.03
3	A'	2027	1830	182.35
4	A'	1914	1727	102.28
5	A'	1480	1336	29.54
6	A'	1408	1271	429.28
7	A'	1290	1165	10.91
8	A'	918	829	58.01
9	A'	734	662	20.43
10	A'	547	494	6.58
11	A'	305	276	41.76
12	A"	1154	1042	10.20
13	A"	670	605	5.54
14	A"	628	567	230.80
15	A"	229	207	29.50

Atom	x (Å)	y (Å)
C1	-0.767	-0.730
C2	0.000	0.576
O3	-0.174	-1.782
O4	-0.548	1.637
O5	1.329	0.404
H6	-1.839	-0.624
H7	1.586	-0.530

	C1	C2	O3	O4	O5	H6	H7
C1		1.5145	1.2071	2.3778	2.3831	1.0768	2.3614
C2	1.5145		2.3637	1.1947	1.3396	2.1952	1.9335
O3	1.2071	2.3637		3.4393	2.6526	2.0276	2.1593
O4	2.3778	1.1947	3.4393		2.2452	2.6037	3.0417
O5	2.3831	1.3396	2.6526	2.2452		3.3298	0.9696
H6	1.0768	2.1952	2.0276	2.6037	3.3298		3.4257
H7	2.3614	1.9335	2.1593	3.0417	0.9696	3.4257

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	122.284	C1	C2	O5	113.083
C2	C1	O3	120.145	C2	C1	H6	114.753
C2	O5	H7	112.732	O3	C1	H6	125.102
O4	C2	O5	124.634

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

using model chemistry: HF/3-21G*

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	0.261
2	C	0.814
3	O	-0.508
4	O	-0.557
5	O	-0.717
6	H	0.270
7	H	0.437

	x	y	z	Total
	-0.761	-2.304	0.000	2.427
CHELPG
AIM
ESP

	x	y	z
x	3.620	-1.011	0.000
y	-1.011	4.534	0.000
z	0.000	0.000	1.383

<r²>	98.868
(<r²>)^1/2	9.943