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	hartrees
Energy at 0K	-82.031975
Energy at 298.15K	-82.036253
HF Energy	-82.031975
Nuclear repulsion energy	32.321765

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	3622	3622	29.14	115.10	0.09	0.17
2	A₁	2626	2626	97.35	130.26	0.09	0.16
3	A₁	1646	1646	85.69	3.93	0.65	0.79
4	A₁	1372	1372	61.80	9.20	0.03	0.06
5	A₁	1165	1165	0.91	10.08	0.41	0.58
6	A₂	857	857	0.00	0.83	0.75	0.86
7	B₁	1027	1027	31.82	0.01	0.75	0.86
8	B₁	637	637	186.69	0.06	0.75	0.86
9	B₂	3718	3718	35.79	49.52	0.75	0.86
10	B₂	2705	2705	160.16	39.93	0.75	0.86
11	B₂	1136	1136	35.48	0.70	0.75	0.86
12	B₂	743	743	0.13	0.01	0.75	0.86

Atom	y (Å)	z (Å)
B1	0.000	-0.778
N2	0.000	0.610
H3	1.041	-1.354
H4	-1.041	-1.354
H5	0.841	1.162
H6	-0.841	1.162

	B1	N2	H3	H4	H5	H6
B1		1.3879	1.1898	1.1898	2.1137	2.1137
N2	1.3879		2.2227	2.2227	1.0055	1.0055
H3	1.1898	2.2227		2.0823	2.5231	3.1414
H4	1.1898	2.2227	2.0823		3.1414	2.5231
H5	2.1137	1.0055	2.5231	3.1414		1.6818
H6	2.1137	1.0055	3.1414	2.5231	1.6818

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	N2	H5	123.253	B1	N2	H6	123.253
N2	B1	H3	118.947	N2	B1	H4	118.947
H3	B1	H4	122.105	H5	N2	H6	113.494

All results from a given calculation for BH₂NH₂ (Boranamine)

using model chemistry: M06-2X/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	-0.015
2	N	-0.329
3	H	-0.007
4	H	-0.007
5	H	0.179
6	H	0.179

	x	y	z	Total
	0.000	0.000	1.822	1.822
CHELPG
AIM
ESP

<r²>	24.179
(<r²>)^1/2	4.917

All results from a given calculation for BH2NH2 (Boranamine)

using model chemistry: M06-2X/Def2TZVPP

States and conformations

All results from a given calculation for BH₂NH₂ (Boranamine)