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	hartrees
Energy at 0K	-81.972730
Energy at 298.15K	-81.976998
HF Energy	-81.972730
Nuclear repulsion energy	32.331246

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	3624	3624	22.56	119.06	0.09	0.17
2	A₁	2574	2574	94.18	131.81	0.09	0.17
3	A₁	1646	1646	76.08	3.96	0.68	0.81
4	A₁	1365	1365	53.18	10.91	0.03	0.06
5	A₁	1154	1154	0.14	11.11	0.44	0.61
6	A₂	859	859	0.00	1.08	0.75	0.86
7	B₁	1009	1009	25.79	0.01	0.75	0.86
8	B₁	625	625	180.52	0.05	0.75	0.86
9	B₂	3720	3720	29.96	53.54	0.75	0.86
10	B₂	2653	2653	161.93	43.05	0.75	0.86
11	B₂	1135	1135	34.94	0.56	0.75	0.86
12	B₂	742	742	0.13	0.01	0.75	0.86

Atom	y (Å)	z (Å)
B1	0.000	-0.775
N2	0.000	0.610
H3	1.046	-1.355
H4	-1.046	-1.355
H5	0.840	1.160
H6	-0.840	1.160

	B1	N2	H3	H4	H5	H6
B1		1.3849	1.1959	1.1959	2.1104	2.1104
N2	1.3849		2.2259	2.2259	1.0048	1.0048
H3	1.1959	2.2259		2.0916	2.5242	3.1443
H4	1.1959	2.2259	2.0916		3.1443	2.5242
H5	2.1104	1.0048	2.5242	3.1443		1.6806
H6	2.1104	1.0048	3.1443	2.5242	1.6806

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	N2	H5	123.250	B1	N2	H6	123.250
N2	B1	H3	119.013	N2	B1	H4	119.013
H3	B1	H4	121.974	H5	N2	H6	113.501

All results from a given calculation for BH₂NH₂ (Boranamine)

using model chemistry: HSEh1PBE/Def2TZVPP

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	-0.046
2	N	-0.278
3	H	-0.017
4	H	-0.017
5	H	0.179
6	H	0.179

	x	y	z	Total
	0.000	0.000	1.963	1.963
CHELPG
AIM
ESP

<r²>	24.178
(<r²>)^1/2	4.917

All results from a given calculation for BH2NH2 (Boranamine)

using model chemistry: HSEh1PBE/Def2TZVPP

States and conformations

All results from a given calculation for BH₂NH₂ (Boranamine)