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	hartrees
Energy at 0K	-189.025032
Energy at 298.15K	-189.026059
HF Energy	-189.025032
Nuclear repulsion energy	63.151010

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2437	2332	31.18
2	A'	1747	1671	87.32
3	A'	1212	1159	2.64
4	A'	750	717	124.80
5	A'	479	458	275.47
6	A"	860	823	0.25

Atom	x (Å)	y (Å)
C1	0.000	0.217
H2	-0.231	1.349
O3	1.174	-0.063
O4	-1.146	-0.268

	C1	H2	O3	O4
C1		1.1558	1.2074	1.2439
H2	1.1558		1.9924	1.8581
O3	1.2074	1.9924		2.3290
O4	1.2439	1.8581	2.3290

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	O3	114.926		H2	C1	O4	101.424
O3	C1	O4	143.651

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

using model chemistry: B1B95/6-31+G**

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	0.369
2	H	0.208
3	O	-0.339
4	O	-0.238

	x	y	z	Total
	-0.629	1.634	0.000	1.751
CHELPG
AIM
ESP

	x	y	z
x	5.973	0.518	0.000
y	0.518	2.716	0.000
z	0.000	0.000	1.650

<r²>	35.004
(<r²>)^1/2	5.916