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	hartrees
Energy at 0K	-188.022985
Energy at 298.15K	-188.024062
HF Energy	-188.022985
Nuclear repulsion energy	61.499595

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2648	2556	21.76
2	A'	1681	1622	110.36
3	A'	1203	1160	18.15
4	A'	900	869	6.94
5	A'	463	447	39.02
6	A"	920	888	0.08

Atom	x (Å)	y (Å)
C1	0.000	0.286
H2	-0.390	1.348
O3	1.186	0.006
O4	-1.138	-0.389

	C1	H2	O3	O4
C1		1.1311	1.2191	1.3226
H2	1.1311		2.0704	1.8903
O3	1.2191	2.0704		2.3572
O4	1.3226	1.8903	2.3572

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	O3	123.474		H2	C1	O4	100.487
O3	C1	O4	136.039

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

using model chemistry: B3LYP/3-21G

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	0.443
2	H	0.244
3	O	-0.410
4	O	-0.277

	x	y	z	Total
	-1.056	1.380	0.000	1.737
CHELPG
AIM
ESP

	x	y	z
x	3.596	0.434	0.000
y	0.434	2.182	0.000
z	0.000	0.000	0.861

<r²>	35.741
(<r²>)^1/2	5.978