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	hartrees
Energy at 0K	-189.059472
Energy at 298.15K	-189.060617
HF Energy	-189.059472
Nuclear repulsion energy	62.754052

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2401	2364	13.51
2	A'	1638	1613	89.79
3	A'	1182	1164	6.91
4	A'	756	744	163.42
5	A'	669	659	26.61
6	A"	831	818	0.00

Atom	x (Å)	y (Å)
C1	0.000	0.216
H2	-0.000	1.370
O3	1.173	-0.166
O4	-1.173	-0.167

	C1	H2	O3	O4
C1		1.1540	1.2335	1.2336
H2	1.1540		1.9327	1.9328
O3	1.2335	1.9327		2.3456
O4	1.2336	1.9328	2.3456

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	O3	108.052		H2	C1	O4	108.057
O3	C1	O4	143.891

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

using model chemistry: B97D3/aug-cc-pVTZ

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	0.234
2	H	0.333
3	O	-0.284
4	O	-0.284

	x	y	z	Total
	0.000	1.483	0.000	1.483
CHELPG
AIM
ESP

<r²>	35.255
(<r²>)^1/2	5.938