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	hartrees
Energy at 0K	-303.045856
Energy at 298.15K	-303.049072
HF Energy	-303.045856
Nuclear repulsion energy	163.902232

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3771	3771	122.99
2	A'	3070	3070	33.61
3	A'	1941	1941	216.36
4	A'	1877	1877	150.38
5	A'	1417	1417	365.06
6	A'	1351	1351	17.75
7	A'	1244	1244	9.69
8	A'	905	905	47.80
9	A'	703	703	20.08
10	A'	515	515	6.06
11	A'	299	299	34.68
12	A"	1024	1024	3.45
13	A"	668	668	69.56
14	A"	584	584	62.39
15	A"	184	184	27.75

Atom	x (Å)	y (Å)
C1	-0.744	-0.760
C2	0.000	0.583
O3	-0.138	-1.792
O4	-0.586	1.620
O5	1.322	0.452
H6	-1.843	-0.685
H7	1.528	-0.495

	C1	C2	O3	O4	O5	H6	H7
C1		1.5348	1.1976	2.3848	2.3955	1.1010	2.2879
C2	1.5348		2.3790	1.1916	1.3283	2.2366	1.8702
O3	1.1976	2.3790		3.4417	2.6777	2.0331	2.1114
O4	2.3848	1.1916	3.4417		2.2372	2.6250	2.9911
O5	2.3955	1.3283	2.6777	2.2372		3.3629	0.9700
H6	1.1010	2.2366	2.0331	2.6250	3.3629		3.3764
H7	2.2879	1.8702	2.1114	2.9911	0.9700	3.3764

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	121.511	C1	C2	O5	113.382
C2	C1	O3	120.569	C2	C1	H6	115.113
C2	O5	H7	107.910	O3	C1	H6	124.318
O4	C2	O5	125.107

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

using model chemistry: M06-2X/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	0.150
2	C	0.353
3	O	-0.294
4	O	-0.321
5	O	-0.320
6	H	0.146
7	H	0.285

	x	y	z	Total
	-0.352	-1.980	0.000	2.011
CHELPG
AIM
ESP

	x	y	z
x	4.628	-0.766	0.000
y	-0.766	5.161	0.000
z	0.000	0.000	2.284

<r²>	98.765
(<r²>)^1/2	9.938