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	hartrees
Energy at 0K	-80.811014
Energy at 298.15K	-80.812141
HF Energy	-80.811014
Nuclear repulsion energy	23.738654

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3766	3754	175.73
2	Σ	2838	2829	12.46
3	Σ	1787	1781	47.19
4	Π	722	720	1.28
4	Π	722	720	1.28
5	Π	425	423	105.80
5	Π	425	423	105.86

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-0.698
N2	0.000	0.000	0.545
H3	0.000	0.000	-1.868
H4	0.000	0.000	1.543

	B1	N2	H3	H4
B1		1.2434	1.1696	2.2417
N2	1.2434		2.4130	0.9982
H3	1.1696	2.4130		3.4113
H4	2.2417	0.9982	3.4113

Number	Element	Mulliken
1	B	-0.040
2	N	-0.086
3	H	-0.054
4	H	0.179

All results from a given calculation for HBNH (Boranimine)

using model chemistry: BLYP/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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You are here: Calculated > Energy > Optimized > Energy

	x	y	z
x	3.047	0.000	-0.000
y	0.000	3.047	-0.000
z	-0.000	-0.000	4.713

<r²>	17.726
(<r²>)^1/2	4.210