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	hartrees
Energy at 0K	-81.918054
Energy at 298.15K	-81.922343
HF Energy	-81.526157
Nuclear repulsion energy	32.340669

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3654	3654	27.52
2	A₁	2601	2601	99.68
3	A₁	1675	1675	79.83
4	A₁	1380	1380	70.67
5	A₁	1172	1172	0.84
6	A₂	865	865	0.00
7	B₁	1033	1033	28.22
8	B₁	630	630	183.24
9	B₂	3753	3753	30.68
10	B₂	2678	2678	163.41
11	B₂	1153	1153	35.80
12	B₂	752	752	0.43

Atom	y (Å)	z (Å)
B1	0.000	-0.777
N2	0.000	0.610
H3	1.042	-1.354
H4	-1.042	-1.354
H5	0.840	1.160
H6	-0.840	1.160

	B1	N2	H3	H4	H5	H6
B1		1.3872	1.1916	1.1916	2.1107	2.1107
N2	1.3872		2.2240	2.2240	1.0033	1.0033
H3	1.1916	2.2240		2.0846	2.5221	3.1403
H4	1.1916	2.2240	2.0846		3.1403	2.5221
H5	2.1107	1.0033	2.5221	3.1403		1.6791
H6	2.1107	1.0033	3.1403	2.5221	1.6791

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	N2	H5	123.197	B1	N2	H6	123.197
N2	B1	H3	118.986	N2	B1	H4	118.986
H3	B1	H4	122.027	H5	N2	H6	113.606

All results from a given calculation for BH₂NH₂ (Boranamine)

using model chemistry: CCSD=FULL/6-311+G(3df,2p)

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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All results from a given calculation for BH2NH2 (Boranamine)

using model chemistry: CCSD=FULL/6-311+G(3df,2p)

States and conformations

All results from a given calculation for BH₂NH₂ (Boranamine)