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	hartrees
Energy at 0K	-81.917223
Energy at 298.15K	-81.921429
HF Energy	-81.917223
Nuclear repulsion energy	32.044155

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	3524	3475	13.74	118.53	0.12	0.21
2	A₁	2542	2507	81.58	96.38	0.11	0.21
3	A₁	1601	1579	60.48	6.87	0.73	0.84
4	A₁	1332	1314	34.39	8.51	0.07	0.13
5	A₁	1129	1113	0.08	14.22	0.58	0.74
6	A₂	853	842	0.00	0.53	0.75	0.86
7	B₁	968	955	22.61	1.02	0.75	0.86
8	B₁	581	573	198.56	0.02	0.75	0.86
9	B₂	3624	3575	16.48	70.40	0.75	0.86
10	B₂	2625	2589	147.80	39.54	0.75	0.86
11	B₂	1099	1084	34.30	1.68	0.75	0.86
12	B₂	717	707	0.20	0.01	0.75	0.86

Atom	y (Å)	z (Å)
B1	0.000	-0.783
N2	0.000	0.614
H3	1.056	-1.364
H4	-1.056	-1.364
H5	0.849	1.172
H6	-0.849	1.172

	B1	N2	H3	H4	H5	H6
B1		1.3962	1.2054	1.2054	2.1311	2.1311
N2	1.3962		2.2418	2.2418	1.0163	1.0163
H3	1.2054	2.2418		2.1120	2.5442	3.1718
H4	1.2054	2.2418	2.1120		3.1718	2.5442
H5	2.1311	1.0163	2.5442	3.1718		1.6985
H6	2.1311	1.0163	3.1718	2.5442	1.6985

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	N2	H5	123.322	B1	N2	H6	123.322
N2	B1	H3	118.830	N2	B1	H4	118.830
H3	B1	H4	122.341	H5	N2	H6	113.355

All results from a given calculation for BH₂NH₂ (Boranamine)

using model chemistry: PBEPBEultrafine/6-31G**

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	0.087
2	N	-0.515
3	H	-0.050
4	H	-0.050
5	H	0.264
6	H	0.264

	x	y	z	Total
	0.000	0.000	2.226	2.226
CHELPG
AIM
ESP

<r²>	24.179
(<r²>)^1/2	4.917

All results from a given calculation for BH2NH2 (Boranamine)

using model chemistry: PBEPBEultrafine/6-31G**

States and conformations

All results from a given calculation for BH₂NH₂ (Boranamine)