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	hartrees
Energy at 0K	-38.073913
Energy at 298.15K	-38.074653
HF Energy	-38.073913
Nuclear repulsion energy	32.695669

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2996	2920	40.84
2	A'	1520	1481	100.48
3	A'	1323	1289	0.51
4	A'	996	970	96.66
5	A'	149	145	79.16
6	A"	971	946	1.36

Atom	x (Å)	y (Å)
C1	0.000	0.400
H2	-0.273	1.470
O3	1.150	-0.073
O4	-1.116	-0.411

	C1	H2	O3	O4
C1		1.1040	1.2439	1.3800
H2	1.1040		2.0989	2.0616
O3	1.2439	2.0989		2.2919
O4	1.3800	2.0616	2.2919

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	O3	126.651		H2	C1	O4	111.703
O3	C1	O4	121.646

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

using model chemistry: B3LYP/CEP-121G

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	0.005
2	H	0.144
3	O	-0.138
4	O	-0.010

	x	y	z	Total
	-1.479	2.136	0.000	2.598
CHELPG
AIM
ESP

	x	y	z
x	3.878	0.095	0.000
y	0.095	2.397	0.000
z	0.000	0.000	1.384

<r²>	30.120
(<r²>)^1/2	5.488