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	hartrees
Energy at 0K	-188.905482
Energy at 298.15K	-188.906745
HF Energy	-188.905482
Nuclear repulsion energy	63.013137

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2960	2943	57.72
2	A'	1449	1441	56.99
3	A'	1362	1354	4.06
4	A'	1219	1212	41.44
5	A'	631	627	23.12
6	A"	996	990	0.01

Atom	x (Å)	y (Å)
C1	0.000	0.437
H2	-0.001	1.555
O3	-1.057	-0.261
O4	1.057	-0.261

	C1	H2	O3	O4
C1		1.1178	1.2662	1.2664
H2	1.1178		2.1000	2.1013
O3	1.2662	2.1000		2.1136
O4	1.2664	2.1013	2.1136

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	O3	123.374		H2	C1	O4	123.486
O3	C1	O4	113.140

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

using model chemistry: PBEPBEultrafine/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	0.211
2	H	0.027
3	O	-0.119
4	O	-0.119

	x	y	z	Total
	-0.001	2.043	0.000	2.043
CHELPG
AIM
ESP

<r²>	32.615
(<r²>)^1/2	5.711