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	hartrees
Energy at 0K	-81.952070
Energy at 298.15K	-81.956335
HF Energy	-81.952070
Nuclear repulsion energy	32.298957

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	3629	3482	14.76	110.77	0.14	0.24
2	A₁	2562	2458	98.34	119.72	0.12	0.22
3	A₁	1692	1624	79.28	4.20	0.74	0.85
4	A₁	1366	1311	48.65	5.92	0.03	0.06
5	A₁	1147	1101	0.02	12.91	0.54	0.70
6	A₂	877	842	0.00	2.10	0.75	0.86
7	B₁	998	958	30.90	1.94	0.75	0.86
8	B₁	614	590	240.63	0.01	0.75	0.86
9	B₂	3726	3575	18.58	64.49	0.75	0.86
10	B₂	2641	2534	171.68	46.09	0.75	0.86
11	B₂	1146	1100	41.30	0.89	0.75	0.86
12	B₂	748	717	0.04	0.00	0.75	0.86

Atom	y (Å)	z (Å)
B1	0.000	-0.775
N2	0.000	0.610
H3	1.049	-1.356
H4	-1.049	-1.356
H5	0.843	1.160
H6	-0.843	1.160

	B1	N2	H3	H4	H5	H6
B1		1.3853	1.1990	1.1990	2.1108	2.1108
N2	1.3853		2.2282	2.2282	1.0062	1.0062
H3	1.1990	2.2282		2.0983	2.5242	3.1477
H4	1.1990	2.2282	2.0983		3.1477	2.5242
H5	2.1108	1.0062	2.5242	3.1477		1.6852
H6	2.1108	1.0062	3.1477	2.5242	1.6852

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	N2	H5	123.133	B1	N2	H6	123.133
N2	B1	H3	118.952	N2	B1	H4	118.952
H3	B1	H4	122.095	H5	N2	H6	113.734

All results from a given calculation for BH₂NH₂ (Boranamine)

using model chemistry: HSEh1PBE/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	0.022
2	N	-0.767
3	H	0.023
4	H	0.023
5	H	0.350
6	H	0.350

	x	y	z	Total
	0.000	0.000	2.146	2.146
CHELPG
AIM
ESP

<r²>	24.167
(<r²>)^1/2	4.916

All results from a given calculation for BH2NH2 (Boranamine)

using model chemistry: HSEh1PBE/6-311G*

States and conformations

All results from a given calculation for BH₂NH₂ (Boranamine)