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	hartrees
Energy at 0K	-188.964289
Energy at 298.15K	-188.965551
HF Energy	-188.964289
Nuclear repulsion energy	63.292066

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2968	2947	48.08
2	A'	1445	1435	53.13
3	A'	1337	1328	12.02
4	A'	1224	1216	39.75
5	A'	628	624	21.02
6	A"	993	986	0.25

Atom	x (Å)	y (Å)
C1	0.000	0.436
H2	-0.002	1.542
O3	-1.052	-0.260
O4	1.052	-0.260

	C1	H2	O3	O4
C1		1.1057	1.2615	1.2617
H2	1.1057		2.0855	2.0876
O3	1.2615	2.0855		2.1042
O4	1.2617	2.0876	2.1042

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	O3	123.398		H2	C1	O4	123.589
O3	C1	O4	113.013

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

using model chemistry: PBEPBE/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	0.250
2	H	0.038
3	O	-0.144
4	O	-0.144

	x	y	z	Total
	-0.002	2.190	0.000	2.190
CHELPG
AIM
ESP

	x	y	z
x	4.737	-0.001	0.000
y	-0.001	2.735	0.000
z	0.000	0.000	1.740

<r²>	32.599
(<r²>)^1/2	5.710