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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	-78.254347
Energy at 298.15K	-78.253148
HF Energy	-78.218514
Nuclear repulsion energy	13.726617

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-0.787
N2	0.000	0.000	0.562

	B1	N2
B1		1.3493
N2	1.3493

	hartrees
Energy at 0K	-78.260518
Energy at 298.15K	-78.259326
HF Energy	-78.170194
Nuclear repulsion energy	14.369669

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

using model chemistry: B2PLYP=FULL/STO-3G

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		1.2889
N2	1.2889

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

using model chemistry: B2PLYP=FULL/STO-3G

States and conformations

State 1 (3Π)

State 2 (1Σ)

State 1 (³Π)

State 2 (¹Σ)