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	hartrees
Energy at 0K	-189.031858
Energy at 298.15K	-189.032942
HF Energy	-189.031858
Nuclear repulsion energy	62.505892

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2949	2949	31.83
2	A'	1807	1807	297.43
3	A'	1337	1337	7.47
4	A'	1045	1045	57.29
5	A'	401	401	36.76
6	A"	1003	1003	0.07

Atom	x (Å)	y (Å)
C1	0.000	0.352
H2	-0.330	1.418
O3	1.131	-0.043
O4	-1.090	-0.398

	C1	H2	O3	O4
C1		1.1160	1.1978	1.3231
H2	1.1160		2.0655	1.9690
O3	1.1978	2.0655		2.2493
O4	1.3231	1.9690	2.2493

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	O3	126.394		H2	C1	O4	107.362
O3	C1	O4	126.244

All results from a given calculation for HCOO (formate neutral radical)

using model chemistry: M06-2X/aug-cc-pVDZ

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	0.791
2	H	-0.165
3	O	-0.386
4	O	-0.240

	x	y	z	Total
	-1.605	1.643	0.000	2.297
CHELPG
AIM
ESP

	x	y	z
x	3.814	0.002	0.000
y	0.002	2.878	0.000
z	0.000	0.000	2.092

<r²>	34.515
(<r²>)^1/2	5.875