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	hartrees
Energy at 0K	-82.083865
Energy at 298.15K	-82.088137
HF Energy	-82.083865
Nuclear repulsion energy	32.305272

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	3587	3587	19.81	121.46	0.10	0.18
2	A₁	2579	2579	95.27	130.35	0.10	0.17
3	A₁	1649	1649	72.64	4.12	0.71	0.83
4	A₁	1360	1360	57.80	10.10	0.02	0.04
5	A₁	1159	1159	0.43	12.22	0.42	0.59
6	A₂	857	857	0.00	1.01	0.75	0.86
7	B₁	1018	1018	27.62	0.00	0.75	0.86
8	B₁	626	626	179.88	0.04	0.75	0.86
9	B₂	3677	3677	25.48	56.55	0.75	0.86
10	B₂	2655	2655	168.22	43.69	0.75	0.86
11	B₂	1139	1139	35.18	0.55	0.75	0.86
12	B₂	750	750	0.18	0.01	0.75	0.86

Atom	y (Å)	z (Å)
B1	0.000	-0.777
N2	0.000	0.610
H3	1.042	-1.356
H4	-1.042	-1.356
H5	0.841	1.163
H6	-0.841	1.163

	B1	N2	H3	H4	H5	H6
B1		1.3877	1.1917	1.1917	2.1149	2.1149
N2	1.3877		2.2254	2.2254	1.0062	1.0062
H3	1.1917	2.2254		2.0835	2.5275	3.1450
H4	1.1917	2.2254	2.0835		3.1450	2.5275
H5	2.1149	1.0062	2.5275	3.1450		1.6812
H6	2.1149	1.0062	3.1450	2.5275	1.6812

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	N2	H5	123.338	B1	N2	H6	123.338
N2	B1	H3	119.055	N2	B1	H4	119.055
H3	B1	H4	121.889	H5	N2	H6	113.323

All results from a given calculation for BH₂NH₂ (Boranamine)

using model chemistry: B3LYPultrafine/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	-0.084
2	N	-0.257
3	H	0.006
4	H	0.006
5	H	0.164
6	H	0.164

	x	y	z	Total
	0.000	0.000	1.949	1.949
CHELPG
AIM
ESP

<r²>	24.280
(<r²>)^1/2	4.928

All results from a given calculation for BH2NH2 (Boranamine)

using model chemistry: B3LYPultrafine/Def2TZVPP

States and conformations

All results from a given calculation for BH₂NH₂ (Boranamine)