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State	Conformation	minimum conformation	conformer description	state description
1	1	yes	C*V	³Σ
2	1	yes	C*V	¹Δ

	hartrees
Energy at 0K	-2331.418783
Energy at 298.15K	-2331.417048
HF Energy	-2331.418783
Nuclear repulsion energy	91.211345

Atom	x (Å)	y (Å)	z (Å)
As1	0.000	0.000	0.369
F2	0.000	0.000	-1.354

	As1	F2
As1		1.7231
F2	1.7231

Number	Element	Mulliken	CHELPG	AIM	ESP
1	As	0.521
2	F	-0.521

All results from a given calculation for AsF (Arsenic monofluoride)

using model chemistry: HF/6-31G*

States and conformations

State 1 (³Σ)

State 2 (¹Δ)

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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You are here: Calculated > Energy > Optimized > Energy

	hartrees
Energy at 0K	-2331.347835
Energy at 298.15K	-2331.346103
HF Energy	-2331.347835
Nuclear repulsion energy	91.444482

<r²>	35.188
(<r²>)^1/2	5.932

	As1	F2
As1		1.7187
F2	1.7187

<r²>	35.191
(<r²>)^1/2	5.932

All results from a given calculation for AsF (Arsenic monofluoride)

using model chemistry: HF/6-31G*

States and conformations

State 1 (3Σ)

State 2 (1Δ)

State 1 (³Σ)

State 2 (¹Δ)