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	hartrees
Energy at 0K	-187.837805
Energy at 298.15K	-187.838818
HF Energy	-187.837805
Nuclear repulsion energy	61.489797

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2783	2672	29.87
2	A'	1741	1672	161.96
3	A'	1289	1237	0.77
4	A'	914	877	3.05
5	A'	376	361	25.21
6	A"	965	926	0.11

Atom	x (Å)	y (Å)
C1	0.000	0.313
H2	-0.400	1.360
O3	1.175	0.006
O4	-1.125	-0.411

	C1	H2	O3	O4
C1		1.1209	1.2142	1.3373
H2	1.1209		2.0771	1.9130
O3	1.2142	2.0771		2.3367
O4	1.3373	1.9130	2.3367

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	O3	125.582		H2	C1	O4	101.835
O3	C1	O4	132.583

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

using model chemistry: HSEh1PBE/3-21G*

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	0.434
2	H	0.251
3	O	-0.429
4	O	-0.256

	x	y	z	Total
	-1.260	1.408	0.000	1.890
CHELPG
AIM
ESP

	x	y	z
x	3.148	0.211	0.000
y	0.211	2.073	0.000
z	0.000	0.000	0.861

<r²>	35.576
(<r²>)^1/2	5.965