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	hartrees
Energy at 0K	-189.086169
Energy at 298.15K	-189.087268
HF Energy	-189.086169
Nuclear repulsion energy	63.411528

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2436	2329	42.24
2	A'	1786	1708	139.81
3	A'	1156	1105	0.56
4	A'	895	855	120.06
5	A'	506	484	123.87
6	A"	874	835	0.42

Atom	x (Å)	y (Å)
C1	0.000	0.239
H2	-0.351	1.331
O3	1.166	-0.014
O4	-1.122	-0.332

	C1	H2	O3	O4
C1		1.1470	1.1935	1.2593
H2	1.1470		2.0281	1.8330
O3	1.1935	2.0281		2.3105
O4	1.2593	1.8330	2.3105

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	O3	120.106		H2	C1	O4	99.130
O3	C1	O4	140.763

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

using model chemistry: wB97X-D/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	0.267
2	H	0.129
3	O	-0.245
4	O	-0.152

	x	y	z	Total
	-0.888	1.455	0.000	1.705
CHELPG
AIM
ESP

	x	y	z
x	5.175	0.604	0.000
y	0.604	2.796	0.000
z	0.000	0.000	1.686

<r²>	34.541
(<r²>)^1/2	5.877