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	hartrees
Energy at 0K	-189.050114
Energy at 298.15K	-189.051051
HF Energy	-189.050114
Nuclear repulsion energy	60.892579

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2797	2688	48.65
2	A'	1630	1567	177.57
3	A'	1233	1185	14.03
4	A'	888	854	2.64
5	A'	330	317	68.17
6	A"	910	874	0.97

Atom	x (Å)	y (Å)
C1	0.000	0.302
H2	-0.363	1.367
O3	1.193	-0.004
O4	-1.148	-0.393

	C1	H2	O3	O4
C1		1.1256	1.2315	1.3414
H2	1.1256		2.0741	1.9267
O3	1.2315	2.0741		2.3728
O4	1.3414	1.9267	2.3728

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	O3	123.200		H2	C1	O4	102.347
O3	C1	O4	134.453

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

using model chemistry: B3LYP/LANL2DZ

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	0.091
2	H	0.231
3	O	-0.208
4	O	-0.114

	x	y	z	Total
	-1.312	1.730	0.000	2.171
CHELPG
AIM
ESP

	x	y	z
x	4.566	0.550	0.000
y	0.550	2.267	0.000
z	0.000	0.000	1.177

<r²>	36.561
(<r²>)^1/2	6.047