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	hartrees
Energy at 0K	-188.907988
Energy at 298.15K	-188.909057
HF Energy	-188.907988
Nuclear repulsion energy	63.130041

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2379	2289	29.06
2	A'	1787	1719	115.11
3	A'	1175	1130	1.52
4	A'	821	790	118.96
5	A'	498	479	134.16
6	A"	861	828	0.70

Atom	x (Å)	y (Å)
C1	0.000	0.218
H2	-0.305	1.347
O3	1.175	-0.033
O4	-1.137	-0.299

	C1	H2	O3	O4
C1		1.1695	1.2017	1.2489
H2	1.1695		2.0237	1.8439
O3	1.2017	2.0237		2.3274
O4	1.2489	1.8439	2.3274

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	O3	117.173		H2	C1	O4	99.315
O3	C1	O4	143.511

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

using model chemistry: HSEh1PBE/cc-pVDZ

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	0.208
2	H	0.132
3	O	-0.196
4	O	-0.143

	x	y	z	Total
	-0.734	1.396	0.000	1.577
CHELPG
AIM
ESP

	x	y	z
x	4.619	0.527	0.000
y	0.527	2.497	0.000
z	0.000	0.000	1.273

<r²>	34.652
(<r²>)^1/2	5.887