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	hartrees
Energy at 0K	-302.955818
Energy at 298.15K	-302.959023
HF Energy	-302.955818
Nuclear repulsion energy	163.549195

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3758	3572	115.09
2	A'	3090	2937	35.93
3	A'	1953	1856	198.28
4	A'	1885	1792	126.12
5	A'	1431	1360	364.04
6	A'	1352	1285	18.40
7	A'	1258	1196	21.92
8	A'	911	866	45.73
9	A'	698	664	18.39
10	A'	513	488	5.17
11	A'	308	293	34.63
12	A"	1011	961	3.43
13	A"	674	641	84.36
14	A"	574	545	50.18
15	A"	184	175	27.19

Atom	x (Å)	y (Å)
C1	-0.748	-0.757
C2	0.000	0.582
O3	-0.135	-1.794
O4	-0.586	1.627
O5	1.323	0.446
H6	-1.848	-0.685
H7	1.526	-0.506

	C1	C2	O3	O4	O5	H6	H7
C1		1.5333	1.2046	2.3892	2.3944	1.1021	2.2872
C2	1.5333		2.3797	1.1984	1.3296	2.2400	1.8737
O3	1.2046	2.3797		3.4507	2.6726	2.0403	2.1018
O4	2.3892	1.1984	3.4507		2.2448	2.6334	3.0016
O5	2.3944	1.3296	2.6726	2.2448		3.3658	0.9732
H6	1.1021	2.2400	2.0403	2.6334	3.3658		3.3779
H7	2.2872	1.8737	2.1018	3.0016	0.9732	3.3779

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	121.517	C1	C2	O5	113.321
C2	C1	O3	120.247	C2	C1	H6	115.441
C2	O5	H7	107.907	O3	C1	H6	124.311
O4	C2	O5	125.163

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

using model chemistry: M06-2X/6-31G**

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	0.234
2	C	0.569
3	O	-0.393
4	O	-0.428
5	O	-0.509
6	H	0.158
7	H	0.369

	x	y	z	Total
	-0.331	-2.005	0.000	2.033
CHELPG
AIM
ESP

	x	y	z
x	4.565	-0.758	0.000
y	-0.758	5.063	0.000
z	0.000	0.000	2.109

<r²>	98.745
(<r²>)^1/2	9.937