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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	-69.140504
Energy at 298.15K	-69.139527
HF Energy	-69.003832
Nuclear repulsion energy	9.232293

Atom	x (Å)	y (Å)	z (Å)
Be1	0.000	0.000	-1.021
N2	0.000	0.000	0.584

	Be1	N2
Be1		1.6049
N2	1.6049

	hartrees
Energy at 0K	-69.104125
Energy at 298.15K	-69.103198
HF Energy	-68.911869
Nuclear repulsion energy	9.970759

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

using model chemistry: CISD/6-311G*

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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	Be1	N2
Be1		1.4860
N2	1.4860

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

using model chemistry: CISD/6-311G*

States and conformations

State 1 (4Σ)

State 2 (2Π)

State 1 (⁴Σ)

State 2 (²Π)