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	hartrees
Energy at 0K	-189.093438
Energy at 298.15K	-189.094704
HF Energy	-189.093438
Nuclear repulsion energy	63.812873

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3050	2943	46.83
2	A'	1506	1453	62.57
3	A'	1298	1253	87.25
4	A'	1094	1055	185.44
5	A'	655	632	23.04
6	A"	1041	1004	0.97

Atom	x (Å)	y (Å)
C1	0.000	0.433
H2	-0.001	1.533
O3	1.043	-0.257
O4	-1.043	-0.259

	C1	H2	O3	O4
C1		1.0995	1.2509	1.2515
H2	1.0995		2.0723	2.0723
O3	1.2509	2.0723		2.0858
O4	1.2515	2.0723	2.0858

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	O3	123.571		H2	C1	O4	123.502
O3	C1	O4	112.928

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

using model chemistry: B3LYP/6-31G(2df,p)

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	0.212
2	H	0.126
3	O	-0.169
4	O	-0.169

	x	y	z	Total
	-0.004	2.204	0.000	2.204
CHELPG
AIM
ESP

	x	y	z
x	5.331	0.003	0.000
y	0.003	2.519	0.000
z	0.000	0.000	1.617

<r²>	32.023
(<r²>)^1/2	5.659