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State	Conformation	minimum conformation	conformer description	state description
1	1	yes	C*V	³Π
2	1	yes	C*V	¹Σ

	hartrees
Energy at 0K	-79.198362
Energy at 298.15K	-79.197167
HF Energy	-78.988677
Nuclear repulsion energy	13.950344

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-0.774
N2	0.000	0.000	0.553

	B1	N2
B1		1.3277
N2	1.3277

	hartrees
Energy at 0K	-79.179779
Energy at 298.15K	-79.178586
HF Energy	-78.879797
Nuclear repulsion energy	14.409652

All results from a given calculation for BN (boron nitride)

using model chemistry: CCSD=FULL/6-31G*

States and conformations

State 1 (³Π)

State 2 (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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	B1	N2
B1		1.2853
N2	1.2853

All results from a given calculation for BN (boron nitride)

using model chemistry: CCSD=FULL/6-31G*

States and conformations

State 1 (3Π)

State 2 (1Σ)

State 1 (³Π)

State 2 (¹Σ)