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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	-79.208432
Energy at 298.15K	-79.207234
HF Energy	-78.987575
Nuclear repulsion energy	13.827224

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-0.781
N2	0.000	0.000	0.558

	B1	N2
B1		1.3391
N2	1.3391

	hartrees
Energy at 0K	-79.194457
Energy at 298.15K	-79.193266
HF Energy	-78.874312
Nuclear repulsion energy	14.008956

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

using model chemistry: QCISD(TQ)=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		1.3225
N2	1.3225

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

using model chemistry: QCISD(TQ)=FULL/6-31G*

States and conformations

State 1 (3Π)

State 2 (1Σ)

State 1 (³Π)

State 2 (¹Σ)