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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	-69.140051
Energy at 298.15K	-69.139058
HF Energy	-68.999801
Nuclear repulsion energy	9.037974

Atom	x (Å)	y (Å)	z (Å)
Be1	0.000	0.000	-1.043
N2	0.000	0.000	0.596

	Be1	N2
Be1		1.6394
N2	1.6394

	hartrees
Energy at 0K	-69.123639
Energy at 298.15K
HF Energy	-68.906701
Nuclear repulsion energy	9.742534

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

using model chemistry: QCISD/aug-cc-pVDZ

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		1.5209
N2	1.5209

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

using model chemistry: QCISD/aug-cc-pVDZ

States and conformations

State 1 (4Σ)

State 2 (2Π)

State 1 (⁴Σ)

State 2 (²Π)