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	hartrees
Energy at 0K	-82.023447
Energy at 298.15K	-82.027710
HF Energy	-82.023447
Nuclear repulsion energy	32.273693

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3608	3474	13.48
2	A₁	2557	2462	98.70
3	A₁	1687	1624	77.67
4	A₁	1361	1311	48.89
5	A₁	1146	1104	0.00
6	A₂	875	842	0.00
7	B₁	998	961	30.85
8	B₁	614	591	239.33
9	B₂	3704	3566	17.06
10	B₂	2636	2537	172.50
11	B₂	1144	1101	41.30
12	B₂	747	719	0.03

Atom	y (Å)	z (Å)
B1	0.000	-0.776
N2	0.000	0.610
H3	1.049	-1.357
H4	-1.049	-1.357
H5	0.843	1.162
H6	-0.843	1.162

	B1	N2	H3	H4	H5	H6
B1		1.3868	1.1985	1.1985	2.1134	2.1134
N2	1.3868		2.2291	2.2291	1.0074	1.0074
H3	1.1985	2.2291		2.0973	2.5266	3.1497
H4	1.1985	2.2291	2.0973		3.1497	2.5266
H5	2.1134	1.0074	2.5266	3.1497		1.6864
H6	2.1134	1.0074	3.1497	2.5266	1.6864

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	N2	H5	123.172	B1	N2	H6	123.172
N2	B1	H3	118.960	N2	B1	H4	118.960
H3	B1	H4	122.080	H5	N2	H6	113.656

All results from a given calculation for BH₂NH₂ (Boranamine)

using model chemistry: B3PW91/6-311G*

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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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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Number	Element	Mulliken
1	B	0.035
2	N	-0.767
3	H	0.018
4	H	0.018
5	H	0.348
6	H	0.348

	x	y	z	Total
	0.000	0.000	2.146	2.146
CHELPG
AIM
ESP

<r²>	24.165
(<r²>)^1/2	4.916

All results from a given calculation for BH2NH2 (Boranamine)

using model chemistry: B3PW91/6-311G*

States and conformations

All results from a given calculation for BH₂NH₂ (Boranamine)