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	hartrees
Energy at 0K	-298.916433
Energy at 298.15K	-298.919517
HF Energy	-298.916433
Nuclear repulsion energy	159.882717

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3370	2962	84.99
2	A'	3324	2922	21.22
3	A'	1930	1697	44.89
4	A'	1808	1589	13.39
5	A'	1663	1462	190.32
6	A'	1365	1200	17.94
7	A'	1206	1060	18.19
8	A'	872	766	5.28
9	A'	698	614	9.56
10	A'	481	423	0.80
11	A'	363	319	34.63
12	A"	996	875	70.08
13	A"	915	804	0.87
14	A"	560	492	2.88
15	A"	223	196	6.94

Atom	x (Å)	y (Å)
C1	-0.851	-0.711
C2	0.000	0.622
O3	-0.169	-1.768
O4	-0.429	1.792
O5	1.335	0.228
H6	-1.968	-0.680
H7	1.174	-0.807

	C1	C2	O3	O4	O5	H6	H7
C1		1.5815	1.2578	2.5384	2.3792	1.1171	2.0270
C2	1.5815		2.3959	1.2463	1.3925	2.3595	1.8497
O3	1.2578	2.3959		3.5695	2.4988	2.1019	1.6509
O4	2.5384	1.2463	3.5695		2.3584	2.9119	3.0541
O5	2.3792	1.3925	2.4988	2.3584		3.4254	1.0474
H6	1.1171	2.3595	2.1019	2.9119	3.4254		3.1439
H7	2.0270	1.8497	1.6509	3.0541	1.0474	3.1439

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	127.307	C1	C2	O5	106.084
C2	C1	O3	114.620	C2	C1	H6	120.973
C2	O5	H7	97.589	O3	C1	H6	124.408
O4	C2	O5	126.609

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

using model chemistry: mPW1PW91/STO-3G

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	0.071
2	C	0.191
3	O	-0.155
4	O	-0.195
5	O	-0.231
6	H	0.104
7	H	0.214

	x	y	z	Total
	-1.106	-1.941	0.000	2.234
CHELPG
AIM
ESP

	x	y	z
x	2.804	-0.581	0.000
y	-0.581	3.732	0.000
z	0.000	0.000	0.733

<r²>	99.412
(<r²>)^1/2	9.971