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	hartrees
Energy at 0K	-189.084352
Energy at 298.15K	-189.085445
HF Energy	-189.084352
Nuclear repulsion energy	63.333155

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2483	2371	52.45
2	A'	1792	1712	176.66
3	A'	1133	1082	2.33
4	A'	967	923	100.43
5	A'	480	458	108.76
6	A"	881	841	0.62

Atom	x (Å)	y (Å)
C1	0.000	0.243
H2	-0.348	1.337
O3	1.165	-0.017
O4	-1.122	-0.332

	C1	H2	O3	O4
C1		1.1479	1.1938	1.2605
H2	1.1479		2.0304	1.8394
O3	1.1938	2.0304		2.3084
O4	1.2605	1.8394	2.3084

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	O3	120.228		H2	C1	O4	99.492
O3	C1	O4	140.279

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

using model chemistry: wB97X-D/TZVP

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	0.276
2	H	0.146
3	O	-0.275
4	O	-0.146

	x	y	z	Total
	-0.996	1.541	0.000	1.835
CHELPG
AIM
ESP

	x	y	z
x	5.265	0.667	0.000
y	0.667	2.739	0.000
z	0.000	0.000	1.544

<r²>	34.705
(<r²>)^1/2	5.891