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	hartrees
Energy at 0K	-37.325302
Energy at 298.15K	-37.326571
HF Energy	-37.325302
Nuclear repulsion energy	33.119619

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3331	3002	33.18
2	A'	1815	1636	322.77
3	A'	1468	1323	4.37
4	A'	1115	1005	151.80
5	A'	619	558	60.07
6	A"	1088	980	0.02

Atom	x (Å)	y (Å)
C1	0.000	0.382
H2	-0.302	1.426
O3	1.142	-0.028
O4	-1.104	-0.437

	C1	H2	O3	O4
C1		1.0866	1.2128	1.3748
H2	1.0866		2.0485	2.0287
O3	1.2128	2.0485		2.2824
O4	1.3748	2.0287	2.2824

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	O3	125.873		H2	C1	O4	110.466
O3	C1	O4	123.660

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

using model chemistry: HF/CEP-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	0.080
2	H	0.196
3	O	-0.203
4	O	-0.073

	x	y	z	Total
	-1.839	2.392	0.000	3.017
CHELPG
AIM
ESP

	x	y	z
x	3.055	-0.174	0.000
y	-0.174	1.815	0.000
z	0.000	0.000	1.147

<r²>	30.014
(<r²>)^1/2	5.479