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	hartrees
Energy at 0K	-189.089360
Energy at 298.15K	-189.090449
HF Energy	-189.089360
Nuclear repulsion energy	63.407015

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2431	2326	47.15
2	A'	1773	1696	142.75
3	A'	1159	1109	0.56
4	A'	875	837	125.09
5	A'	500	478	143.32
6	A"	869	831	0.21

Atom	x (Å)	y (Å)
C1	0.000	0.239
H2	-0.349	1.332
O3	1.166	-0.015
O4	-1.123	-0.331

	C1	H2	O3	O4
C1		1.1470	1.1940	1.2593
H2	1.1470		2.0277	1.8342
O3	1.1940	2.0277		2.3110
O4	1.2593	1.8342	2.3110

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	O3	120.018		H2	C1	O4	99.214
O3	C1	O4	140.768

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

using model chemistry: wB97X-D/aug-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	0.269
2	H	0.403
3	O	-0.404
4	O	-0.268

	x	y	z	Total
	-0.871	1.462	0.000	1.702
CHELPG
AIM
ESP

	x	y	z
x	5.814	0.588	0.000
y	0.588	3.216	0.000
z	0.000	0.000	2.196

<r²>	34.674
(<r²>)^1/2	5.888