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	hartrees
Energy at 0K	-189.041407
Energy at 298.15K	-189.042486
HF Energy	-189.041407
Nuclear repulsion energy	63.315675

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2397	2288	28.75
2	A'	1790	1709	100.21
3	A'	1166	1113	1.20
4	A'	852	814	128.79
5	A'	497	475	133.20
6	A"	880	840	0.90

Atom	x (Å)	y (Å)
C1	0.000	0.217
H2	-0.310	1.336
O3	1.172	-0.027
O4	-1.133	-0.303

	C1	H2	O3	O4
C1		1.1610	1.1973	1.2470
H2	1.1610		2.0135	1.8342
O3	1.1973	2.0135		2.3220
O4	1.2470	1.8342	2.3220

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	O3	117.244		H2	C1	O4	99.168
O3	C1	O4	143.588

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

using model chemistry: mPW1PW91/6-31G(2df,p)

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	0.278
2	H	0.211
3	O	-0.277
4	O	-0.212

	x	y	z	Total
	-0.783	1.377	0.000	1.584
CHELPG
AIM
ESP

	x	y	z
x	4.758	0.535	0.000
y	0.535	2.692	0.000
z	0.000	0.000	1.595

<r²>	34.457
(<r²>)^1/2	5.870