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	hartrees
Energy at 0K	-189.093684
Energy at 298.15K	-189.094947
HF Energy	-189.093684
Nuclear repulsion energy	63.568079

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3037	2945	56.57
2	A'	1499	1454	70.80
3	A'	1271	1233	81.88
4	A'	1091	1058	181.57
5	A'	653	633	25.71
6	A"	1025	994	1.11

Atom	x (Å)	y (Å)
C1	0.000	0.434
H2	-0.002	1.543
O3	1.047	-0.258
O4	-1.047	-0.260

	C1	H2	O3	O4
C1		1.1092	1.2548	1.2559
H2	1.1092		2.0843	2.0839
O3	1.2548	2.0843		2.0937
O4	1.2559	2.0839	2.0937

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	O3	123.565		H2	C1	O4	123.432
O3	C1	O4	113.003

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

using model chemistry: B3LYP/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	0.254
2	H	0.023
3	O	-0.139
4	O	-0.138

	x	y	z	Total
	-0.007	2.235	0.000	2.235
CHELPG
AIM
ESP

	x	y	z
x	5.201	0.004	0.000
y	0.004	2.339	0.000
z	0.000	0.000	1.323

<r²>	32.225
(<r²>)^1/2	5.677