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	hartrees
Energy at 0K	-188.943333
Energy at 298.15K	-188.944596
HF Energy	-188.943333
Nuclear repulsion energy	63.225479

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2971	2940	64.57
2	A'	1447	1432	60.03
3	A'	1354	1340	9.94
4	A'	1234	1221	39.02
5	A'	635	628	24.29
6	A"	992	981	0.02

Atom	x (Å)	y (Å)
C1	0.000	0.433
H2	-0.002	1.541
O3	-1.055	-0.259
O4	1.055	-0.259

	C1	H2	O3	O4
C1		1.1079	1.2619	1.2620
H2	1.1079		2.0856	2.0873
O3	1.2619	2.0856		2.1107
O4	1.2620	2.0873	2.1107

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	O3	123.173		H2	C1	O4	123.331
O3	C1	O4	113.496

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

using model chemistry: PBEPBE/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	0.152
2	H	0.186
3	O	-0.169
4	O	-0.169

	x	y	z	Total
	-0.002	2.174	0.000	2.174
CHELPG
AIM
ESP

	x	y	z
x	4.416	-0.001	0.000
y	-0.001	2.420	0.000
z	0.000	0.000	1.399

<r²>	32.635
(<r²>)^1/2	5.713