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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	-153.953481
Energy at 298.15K	-153.953487
HF Energy	-153.779394
Nuclear repulsion energy	23.728711

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-0.790
F2	0.000	0.000	0.615

	N1	F2
N1		1.4050
F2	1.4050

	hartrees
Energy at 0K	-153.872073
Energy at 298.15K	-153.872054
Nuclear repulsion energy	23.778846

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

using model chemistry: MP2/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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	N1	F2
N1		1.4020
F2	1.4020

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

using model chemistry: MP2/LANL2DZ

States and conformations

State 1 (3Σ)

State 2 (1Σ)

State 1 (³Σ)

State 2 (¹Σ)