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State	Conformation	minimum conformation	conformer description	state description
1	1	yes	C*V	³Σ^-
3	1	yes	C*V	¹Σ⁺

	hartrees
Energy at 0K	-55.185035
Energy at 298.15K	-55.184994
HF Energy	-55.185035
Nuclear repulsion energy

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	0.132
H2	0.000	0.000	-0.923

	N1	H2
N1		1.0553
H2	1.0553

Number	Element	Mulliken	CHELPG	AIM	ESP
1	N	-0.288
2	H	0.288

All results from a given calculation for NH (Imidogen)

using model chemistry: B97D3/6-31G*

States and conformations

State 1 (³Σ^-)

State 2 (¹Δ)

State 3 (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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You are here: Calculated > Energy > Optimized > Energy

	hartrees
Energy at 0K	-55.095080
Energy at 298.15K	-55.095040
HF Energy	-55.095080
Nuclear repulsion energy

<r²>	4.734
(<r²>)^1/2	2.176

	N1	H2
N1		1.0533
H2	1.0533

<r²>	4.784
(<r²>)^1/2	2.187

All results from a given calculation for NH (Imidogen)

using model chemistry: B97D3/6-31G*

States and conformations

State 1 (3Σ-)

State 2 (1Δ)

State 3 (1Σ+)

State 1 (³Σ^-)

State 2 (¹Δ)

State 3 (¹Σ⁺)