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	hartrees
Energy at 0K	-80.807266
Energy at 298.15K	-80.808518
HF Energy	-80.807266
Nuclear repulsion energy	23.917562

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3904	3740	200.63
2	Σ	2888	2767	15.53
3	Σ	1851	1773	60.50
4	Π	752	721	0.27
4	Π	752	721	0.27
5	Π	483	463	117.29
5	Π	483	463	117.29

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-0.692
N2	0.000	0.000	0.541
H3	0.000	0.000	-1.860
H4	0.000	0.000	1.531

	B1	N2	H3	H4
B1		1.2328	1.1687	2.2228
N2	1.2328		2.4016	0.9900
H3	1.1687	2.4016		3.3916
H4	2.2228	0.9900	3.3916

Number	Element	Mulliken
1	B	-0.057
2	N	-0.087
3	H	-0.038
4	H	0.182

All results from a given calculation for HBNH (Boranimine)

using model chemistry: mPW1PW91/aug-cc-pVTZ

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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<r²>	17.391
(<r²>)^1/2	4.170