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

	hartrees
Energy at 0K	-153.779783
Energy at 298.15K	-153.779761
HF Energy	-153.779783
Nuclear repulsion energy	24.192782

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-0.775
F2	0.000	0.000	0.603

	N1	F2
N1		1.3780
F2	1.3780

Number	Element	Mulliken	CHELPG	AIM	ESP
1	N	0.314
2	F	-0.314

All results from a given calculation for NF (nitrogen fluoride)

using model chemistry: HF/LANL2DZ

States and conformations

State 1 (³Σ)

State 2 (¹Σ)

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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<r²>	13.921
(<r²>)^1/2	3.731

All results from a given calculation for NF (nitrogen fluoride)

using model chemistry: HF/LANL2DZ

States and conformations

State 1 (3Σ)

State 2 (1Σ)

State 1 (³Σ)

State 2 (¹Σ)