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	hartrees
Energy at 0K	-189.056018
Energy at 298.15K	-189.057285
HF Energy	-189.056018
Nuclear repulsion energy	63.936680

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3066	2951	61.39
2	A'	1516	1460	74.56
3	A'	1296	1248	102.52
4	A'	1101	1060	199.12
5	A'	660	635	26.85
6	A"	1025	987	0.89

Atom	x (Å)	y (Å)
C1	0.000	0.431
H2	-0.001	1.530
O3	1.041	-0.257
O4	-1.041	-0.258

	C1	H2	O3	O4
C1		1.0990	1.2481	1.2487
H2	1.0990		2.0688	2.0686
O3	1.2481	2.0688		2.0827
O4	1.2487	2.0686	2.0827

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	O3	123.512		H2	C1	O4	123.428
O3	C1	O4	113.060

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

using model chemistry: B3PW91/6-311G*

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	0.200
2	H	0.198
3	O	-0.199
4	O	-0.199

	x	y	z	Total
	-0.004	2.374	0.000	2.374
CHELPG
AIM
ESP

	x	y	z
x	5.600	0.003	0.000
y	0.003	2.307	0.000
z	0.000	0.000	1.382

<r²>	32.064
(<r²>)^1/2	5.662