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	hartrees
Energy at 0K	-188.803451
Energy at 298.15K	-188.804368
HF Energy	-188.803451
Nuclear repulsion energy	61.445707

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2883	2755	40.05
2	A'	1708	1633	212.61
3	A'	1307	1249	1.30
4	A'	960	918	4.25
5	A'	283	271	39.51
6	A"	953	911	0.17

Atom	x (Å)	y (Å)
C1	0.000	0.319
H2	-0.340	1.381
O3	1.173	-0.023
O4	-1.130	-0.389

	C1	H2	O3	O4
C1		1.1154	1.2215	1.3336
H2	1.1154		2.0641	1.9385
O3	1.2215	2.0641		2.3318
O4	1.3336	1.9385	2.3318

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	O3	124.008		H2	C1	O4	104.310
O3	C1	O4	131.682

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

using model chemistry: PBE1PBE/6-31G

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	0.343
2	H	0.225
3	O	-0.366
4	O	-0.201

	x	y	z	Total
	-1.383	1.621	0.000	2.131
CHELPG
AIM
ESP

	x	y	z
x	3.703	0.234	0.000
y	0.234	2.209	0.000
z	0.000	0.000	1.037

<r²>	35.786
(<r²>)^1/2	5.982