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	hartrees
Energy at 0K	-301.565580
Energy at 298.15K	-301.568917
HF Energy	-301.565580
Nuclear repulsion energy	165.532732

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	4089	3715	144.78
2	A'	3215	2921	35.93
3	A'	2076	1886	207.13
4	A'	2010	1826	313.84
5	A'	1524	1384	399.41
6	A'	1466	1332	34.27
7	A'	1331	1209	17.07
8	A'	973	884	54.78
9	A'	751	682	29.97
10	A'	558	507	8.78
11	A'	311	282	37.38
12	A"	1128	1025	3.24
13	A"	679	617	7.22
14	A"	616	559	157.74
15	A"	175	159	35.27

Atom	x (Å)	y (Å)
C1	-0.731	-0.766
C2	0.000	0.577
O3	-0.134	-1.782
O4	-0.595	1.589
O5	1.309	0.477
H6	-1.818	-0.695
H7	1.565	-0.435

	C1	C2	O3	O4	O5	H6	H7
C1		1.5286	1.1795	2.3581	2.3888	1.0892	2.3199
C2	1.5286		2.3628	1.1738	1.3127	2.2188	1.8635
O3	1.1795	2.3628		3.4023	2.6803	2.0053	2.1677
O4	2.3581	1.1738	3.4023		2.2047	2.5904	2.9598
O5	2.3888	1.3127	2.6803	2.2047		3.3395	0.9472
H6	1.0892	2.2188	2.0053	2.5904	3.3395		3.3931
H7	2.3199	1.8635	2.1677	2.9598	0.9472	3.3931

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	120.959	C1	C2	O5	114.219
C2	C1	O3	120.957	C2	C1	H6	114.857
C2	O5	H7	110.042	O3	C1	H6	124.186
O4	C2	O5	124.822

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

using model chemistry: HF/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	0.247
2	C	0.468
3	O	-0.359
4	O	-0.396
5	O	-0.373
6	H	0.123
7	H	0.288

	x	y	z	Total
	-0.352	-2.013	0.000	2.043
CHELPG
AIM
ESP

	x	y	z
x	4.191	-0.815	0.000
y	-0.815	4.856	0.000
z	0.000	0.000	2.191

<r²>	97.665
(<r²>)^1/2	9.883