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State	Conformation	minimum conformation	conformer description	state description
1	1	yes	C*V	⁴Σ
2	1	yes	C*V	²Π

	hartrees
Energy at 0K	-68.473915
Energy at 298.15K	-68.472936
HF Energy	-68.473915
Nuclear repulsion energy	9.047241

Atom	x (Å)	y (Å)	z (Å)
Be1	0.000	0.000	-1.042
N2	0.000	0.000	0.596

	Be1	N2
Be1		1.6377
N2	1.6377

Number	Element	Mulliken	CHELPG	AIM	ESP
1	Be	0.203
2	N	-0.203

All results from a given calculation for BeN (Beryllium mononitride)

using model chemistry: SVWN/3-21G

States and conformations

State 1 (⁴Σ)

State 2 (²Π)

	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	-68.479571
Energy at 298.15K	-68.478633
HF Energy	-68.479571
Nuclear repulsion energy	9.771132

<r²>	14.578
(<r²>)^1/2	3.818

	Be1	N2
Be1		1.5164
N2	1.5164

<r²>	12.533
(<r²>)^1/2	3.540

All results from a given calculation for BeN (Beryllium mononitride)

using model chemistry: SVWN/3-21G

States and conformations

State 1 (4Σ)

State 2 (2Π)

State 1 (⁴Σ)

State 2 (²Π)