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	hartrees
Energy at 0K	-187.971672
Energy at 298.15K	-187.972677
HF Energy	-187.971672
Nuclear repulsion energy	61.453642

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2825	2697	28.62
2	A'	1737	1658	167.47
3	A'	1306	1247	0.27
4	A'	915	873	5.91
5	A'	362	345	24.29
6	A"	976	931	0.14

Atom	x (Å)	y (Å)
C1	0.000	0.321
H2	-0.392	1.367
O3	1.172	0.002
O4	-1.123	-0.414

	C1	H2	O3	O4
C1		1.1163	1.2144	1.3419
H2	1.1163		2.0752	1.9245
O3	1.2144	2.0752		2.3317
O4	1.3419	1.9245	2.3317

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	O3	125.794		H2	C1	O4	102.664
O3	C1	O4	131.543

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

using model chemistry: mPW1PW91/3-21G

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	0.436
2	H	0.251
3	O	-0.434
4	O	-0.253

	x	y	z	Total
	-1.296	1.439	0.000	1.937
CHELPG
AIM
ESP

	x	y	z
x	3.068	0.159	0.000
y	0.159	2.031	0.000
z	0.000	0.000	0.860

<r²>	35.534
(<r²>)^1/2	5.961