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	hartrees
Energy at 0K	-302.969191
Energy at 298.15K	-302.972364
HF Energy	-302.969191
Nuclear repulsion energy	163.309926

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3768	3588	129.26
2	A'	3097	2949	29.19
3	A'	1928	1836	233.92
4	A'	1875	1786	159.79
5	A'	1411	1344	341.73
6	A'	1349	1285	18.91
7	A'	1238	1179	25.00
8	A'	907	864	49.74
9	A'	694	661	17.67
10	A'	513	489	6.40
11	A'	299	285	33.92
12	A"	1014	965	4.70
13	A"	659	627	74.70
14	A"	572	544	67.26
15	A"	178	169	32.16

Atom	x (Å)	y (Å)
C1	-0.747	-0.761
C2	0.000	0.579
O3	-0.136	-1.799
O4	-0.593	1.622
O5	1.325	0.461
H6	-1.847	-0.692
H7	1.558	-0.484

	C1	C2	O3	O4	O5	H6	H7
C1		1.5348	1.2046	2.3884	2.4058	1.1017	2.3218
C2	1.5348		2.3822	1.1994	1.3300	2.2419	1.8861
O3	1.2046	2.3822		3.4515	2.6910	2.0383	2.1443
O4	2.3884	1.1994	3.4515		2.2415	2.6317	3.0099
O5	2.4058	1.3300	2.6910	2.2415		3.3746	0.9733
H6	1.1017	2.2419	2.0383	2.6317	3.3746		3.4110
H7	2.3218	1.8861	2.1443	3.0099	0.9733	3.4110

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	121.250	C1	C2	O5	114.042
C2	C1	O3	120.349	C2	C1	H6	115.510
C2	O5	H7	108.951	O3	C1	H6	124.141
O4	C2	O5	124.708

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

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

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	0.252
2	C	0.402
3	O	-0.368
4	O	-0.407
5	O	-0.455
6	H	0.186
7	H	0.391

	x	y	z	Total
	-0.358	-2.069	0.000	2.100
CHELPG
AIM
ESP

	x	y	z
x	5.225	-0.808	0.000
y	-0.808	5.971	0.000
z	0.000	0.000	2.833

<r²>	99.644
(<r²>)^1/2	9.982