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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	-69.201617
Energy at 298.15K	-69.200650
HF Energy	-69.011457
Nuclear repulsion energy	9.307459

Atom	x (Å)	y (Å)	z (Å)
Be1	0.000	0.000	-1.013
N2	0.000	0.000	0.579

	Be1	N2
Be1		1.5915
N2	1.5915

	hartrees
Energy at 0K	-69.190611
Energy at 298.15K	-69.189695
HF Energy	-68.919213
Nuclear repulsion energy	9.875908

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

using model chemistry: MP4=FULL/cc-pVTZ

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		1.4999
N2	1.4999

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

using model chemistry: MP4=FULL/cc-pVTZ

States and conformations

State 1 (4Σ)

State 2 (2Π)

State 1 (⁴Σ)

State 2 (²Π)