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	hartrees
Energy at 0K	-188.891718
Energy at 298.15K	-188.892796
HF Energy	-188.891718
Nuclear repulsion energy	63.142044

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2380	2288	30.14
2	A'	1797	1728	118.75
3	A'	1177	1131	1.42
4	A'	828	796	118.96
5	A'	507	487	125.80
6	A"	861	828	0.69

Atom	x (Å)	y (Å)
C1	0.000	0.217
H2	-0.309	1.346
O3	1.175	-0.031
O4	-1.136	-0.300

	C1	H2	O3	O4
C1		1.1701	1.2011	1.2488
H2	1.1701		2.0248	1.8423
O3	1.2011	2.0248		2.3272
O4	1.2488	1.8423	2.3272

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	O3	117.274		H2	C1	O4	99.158
O3	C1	O4	143.568

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

using model chemistry: PBE1PBE/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	0.133
3	O	-0.199
4	O	-0.145

	x	y	z	Total
	-0.742	1.397	0.000	1.581
CHELPG
AIM
ESP

	x	y	z
x	4.588	0.525	0.000
y	0.525	2.496	0.000
z	0.000	0.000	1.273

<r²>	34.646
(<r²>)^1/2	5.886