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	hartrees
Energy at 0K	-82.056269
Energy at 298.15K	-82.060524
HF Energy	-82.056269
Nuclear repulsion energy	32.148790

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	3577	3471	18.30	131.26	0.08	0.15
2	A₁	2571	2494	96.90	149.68	0.07	0.14
3	A₁	1635	1587	75.39	3.59	0.61	0.76
4	A₁	1340	1301	59.67	13.53	0.04	0.08
5	A₁	1143	1109	0.21	13.01	0.25	0.39
6	A₂	847	822	0.00	0.75	0.75	0.86
7	B₁	1005	975	23.57	0.06	0.75	0.86
8	B₁	612	594	176.40	0.20	0.75	0.86
9	B₂	3677	3568	25.62	54.69	0.75	0.86
10	B₂	2648	2570	162.32	46.89	0.75	0.86
11	B₂	1126	1092	33.62	0.21	0.75	0.86
12	B₂	731	710	0.52	0.00	0.75	0.86

Atom	y (Å)	z (Å)
B1	0.000	-0.780
N2	0.000	0.613
H3	1.052	-1.361
H4	-1.052	-1.361
H5	0.846	1.166
H6	-0.846	1.166

	B1	N2	H3	H4	H5	H6
B1		1.3932	1.2013	1.2013	2.1227	2.1227
N2	1.3932		2.2362	2.2362	1.0111	1.0111
H3	1.2013	2.2362		2.1037	2.5354	3.1604
H4	1.2013	2.2362	2.1037		3.1604	2.5354
H5	2.1227	1.0111	2.5354	3.1604		1.6920
H6	2.1227	1.0111	3.1604	2.5354	1.6920

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	N2	H5	123.200	B1	N2	H6	123.200
N2	B1	H3	118.880	N2	B1	H4	118.880
H3	B1	H4	122.240	H5	N2	H6	113.600

All results from a given calculation for BH₂NH₂ (Boranamine)

using model chemistry: B3LYPultrafine/aug-cc-pVDZ

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	-1.086
2	N	0.140
3	H	0.537
4	H	0.537
5	H	-0.065
6	H	-0.065

	x	y	z	Total
	0.000	0.000	1.880	1.880
CHELPG
AIM
ESP

<r²>	24.515
(<r²>)^1/2	4.951

All results from a given calculation for BH2NH2 (Boranamine)

using model chemistry: B3LYPultrafine/aug-cc-pVDZ

States and conformations

All results from a given calculation for BH₂NH₂ (Boranamine)