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	hartrees
Energy at 0K	-186.335551
Energy at 298.15K	-186.336610
HF Energy	-186.335551
Nuclear repulsion energy	59.736559

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3202	2824	4.26
2	A'	1839	1622	45.95
3	A'	1411	1245	2.56
4	A'	1094	965	19.74
5	A'	491	433	13.09
6	A"	921	812	0.99

Atom	x (Å)	y (Å)
C1	0.000	0.383
H2	-0.359	1.452
O3	1.178	-0.017
O4	-1.133	-0.452

	C1	H2	O3	O4
C1		1.1276	1.2440	1.4072
H2	1.1276		2.1258	2.0548
O3	1.2440	2.1258		2.3518
O4	1.4072	2.0548	2.3518

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	O3	127.300		H2	C1	O4	107.804
O3	C1	O4	124.895

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

using model chemistry: PBE1PBE/STO-3G

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	0.125
2	H	0.087
3	O	-0.184
4	O	-0.028

	x	y	z	Total
	-1.109	0.930	0.000	1.447
CHELPG
AIM
ESP

	x	y	z
x	2.052	0.012	0.000
y	0.012	1.218	0.000
z	0.000	0.000	0.394

<r²>	35.412
(<r²>)^1/2	5.951