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	hartrees
Energy at 0K	-188.219271
Energy at 298.15K	-188.220573
HF Energy	-188.219271
Nuclear repulsion energy	63.502982

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3170	2880	36.86
2	A'	1976	1796	418.00
3	A'	1498	1361	13.88
4	A'	1174	1067	133.80
5	A'	640	582	48.45
6	A"	1150	1044	1.01

Atom	x (Å)	y (Å)
C1	0.000	0.360
H2	-0.316	1.404
O3	1.104	-0.027
O4	-1.064	-0.419

	C1	H2	O3	O4
C1		1.0907	1.1698	1.3188
H2	1.0907		2.0158	1.9702
O3	1.1698	2.0158		2.2036
O4	1.3188	1.9702	2.2036

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	O3	126.154		H2	C1	O4	109.339
O3	C1	O4	124.507

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

using model chemistry: HF/aug-cc-pVQZ

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	0.363
2	H	0.501
3	O	-0.570
4	O	-0.294

	x	y	z	Total
	-1.791	1.775	0.000	2.522
CHELPG
AIM
ESP

	x	y	z
x	3.359	-0.066	0.000
y	-0.066	2.620	0.000
z	0.000	0.000	2.022

<r²>	33.628
(<r²>)^1/2	5.799