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	hartrees
Energy at 0K	-188.924218
Energy at 298.15K	-188.925475
HF Energy	-188.924218
Nuclear repulsion energy	62.963624

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2989	2971	37.51
2	A'	1435	1426	49.69
3	A'	1335	1327	6.00
4	A'	1214	1206	47.40
5	A'	624	621	19.51
6	A"	980	974	0.79

Atom	x (Å)	y (Å)
C1	0.000	0.440
H2	-0.001	1.552
O3	-1.057	-0.262
O4	1.057	-0.262

	C1	H2	O3	O4
C1		1.1117	1.2684	1.2686
H2	1.1117		2.0984	2.0996
O3	1.2684	2.0984		2.1132
O4	1.2686	2.0996	2.1132

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	O3	123.545		H2	C1	O4	123.652
O3	C1	O4	112.803

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

using model chemistry: PBEPBEultrafine/aug-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	0.808
2	H	-0.166
3	O	-0.320
4	O	-0.321

	x	y	z	Total
	-0.001	2.284	0.000	2.284
CHELPG
AIM
ESP

<r²>	33.031
(<r²>)^1/2	5.747