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	hartrees
Energy at 0K
Energy at 298.15K	0.088462
HF Energy	0.088462
Nuclear repulsion energy	27.785492

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.096
Cl2	0.000	0.000	0.451

	N1	Cl2
N1		1.5475
Cl2	1.5475

	hartrees
Energy at 0K
Energy at 298.15K	0.122819
HF Energy	0.122819
Nuclear repulsion energy	27.982810

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.070
Cl2	0.000	0.000	0.441

All results from a given calculation for NCl (nitrogen monochloride)

using model chemistry: PM3

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	Cl2
N1		1.5103
Cl2	1.5103

All results from a given calculation for NCl (nitrogen monochloride)

using model chemistry: PM3

States and conformations

State 1 (3Σ)

State 2 (1Σ)

State 1 (³Σ)

State 2 (¹Σ)