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	hartrees
Energy at 0K	-59.232499
Energy at 298.15K	-59.235775
HF Energy	-59.232499
Nuclear repulsion energy	88.219949

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	4060	3667	128.90
2	A'	3260	2945	36.61
3	A'	2042	1845	176.98
4	A'	1977	1786	377.54
5	A'	1524	1377	413.86
6	A'	1463	1322	45.68
7	A'	1326	1197	16.84
8	A'	964	871	56.41
9	A'	736	665	28.68
10	A'	548	495	8.78
11	A'	305	275	36.88
12	A"	1110	1003	3.35
13	A"	671	607	26.76
14	A"	613	554	150.99
15	A"	165	149	38.06

Atom	x (Å)	y (Å)
C1	-0.740	-0.773
C2	0.000	0.581
O3	-0.134	-1.798
O4	-0.600	1.603
O5	1.320	0.482
H6	-1.827	-0.704
H7	1.579	-0.435

	C1	C2	O3	O4	O5	H6	H7
C1		1.5426	1.1906	2.3799	2.4117	1.0898	2.3428
C2	1.5426		2.3827	1.1852	1.3235	2.2336	1.8772
O3	1.1906	2.3827		3.4328	2.7044	2.0161	2.1891
O4	2.3799	1.1852	3.4328		2.2230	2.6127	2.9832
O5	2.4117	1.3235	2.7044	2.2230		3.3631	0.9529
H6	1.0898	2.2336	2.0161	2.6127	3.3631		3.4165
H7	2.3428	1.8772	2.1891	2.9832	0.9529	3.4165

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	120.930	C1	C2	O5	114.375
C2	C1	O3	120.783	C2	C1	H6	115.006
C2	O5	H7	110.041	O3	C1	H6	124.211
O4	C2	O5	124.695

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

using model chemistry: HF/CEP-121G*

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	0.111
2	C	0.441
3	O	-0.348
4	O	-0.351
5	O	-0.529
6	H	0.183
7	H	0.494

	x	y	z	Total
	-0.395	-2.127	0.000	2.164
CHELPG
AIM
ESP

	x	y	z
x	4.395	-0.821	0.000
y	-0.821	5.108	0.000
z	0.000	0.000	2.448

<r²>	79.929
(<r²>)^1/2	8.940