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	hartrees
Energy at 0K	-80.360334
Energy at 298.15K	-80.361531
HF Energy	-80.360334
Nuclear repulsion energy	23.802748

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3779	3743	203.90
2	Σ	2819	2793	5.90
3	Σ	1815	1798	46.06
4	Π	703	696	1.17
4	Π	703	696	1.17
5	Π	475	470	108.95
5	Π	475	470	108.98

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-0.694
N2	0.000	0.000	0.542
H3	0.000	0.000	-1.872
H4	0.000	0.000	1.544

	B1	N2	H3	H4
B1		1.2360	1.1779	2.2373
N2	1.2360		2.4139	1.0013
H3	1.1779	2.4139		3.4152
H4	2.2373	1.0013	3.4152

Number	Element	Mulliken
1	B	-0.048
2	N	-0.088
3	H	-0.046
4	H	0.182

All results from a given calculation for HBNH (Boranimine)

using model chemistry: LSDA/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	2.966	0.000	0.000
y	0.000	2.967	-0.000
z	0.000	-0.000	4.632

<r²>	17.584
(<r²>)^1/2	4.193