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	hartrees
Energy at 0K	-81.962363
Energy at 298.15K	-81.966641
HF Energy	-81.863068
Nuclear repulsion energy	32.318145

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	3637	3474	27.97	97.15	0.11	0.20
2	A₁	2628	2509	86.89	88.92	0.12	0.21
3	A₁	1660	1585	64.59	4.99	0.75	0.86
4	A₁	1382	1320	51.65	7.87	0.05	0.09
5	A₁	1178	1125	0.11	14.23	0.50	0.67
6	A₂	874	834	0.00	0.47	0.75	0.86
7	B₁	1030	984	32.88	0.19	0.75	0.86
8	B₁	621	593	177.23	0.03	0.75	0.86
9	B₂	3734	3566	26.44	56.03	0.75	0.86
10	B₂	2707	2585	143.02	35.13	0.75	0.86
11	B₂	1145	1094	33.70	1.35	0.75	0.86
12	B₂	745	712	0.00	0.01	0.75	0.86

Atom	y (Å)	z (Å)
B1	0.000	-0.777
N2	0.000	0.610
H3	1.043	-1.355
H4	-1.043	-1.355
H5	0.839	1.163
H6	-0.839	1.163

	B1	N2	H3	H4	H5	H6
B1		1.3874	1.1917	1.1917	2.1143	2.1143
N2	1.3874		2.2241	2.2241	1.0053	1.0053
H3	1.1917	2.2241		2.0851	2.5259	3.1434
H4	1.1917	2.2241	2.0851		3.1434	2.5259
H5	2.1143	1.0053	2.5259	3.1434		1.6790
H6	2.1143	1.0053	3.1434	2.5259	1.6790

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	N2	H5	123.379	B1	N2	H6	123.379
N2	B1	H3	118.974	N2	B1	H4	118.974
H3	B1	H4	122.053	H5	N2	H6	113.242

All results from a given calculation for BH₂NH₂ (Boranamine)

using model chemistry: B2PLYP/6-31G(2df,p)

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	-0.086
2	N	-0.347
3	H	-0.046
4	H	-0.046
5	H	0.263
6	H	0.263

	x	y	z	Total
	0.000	0.000	2.053	2.053
CHELPG
AIM
ESP

<r²>	23.963
(<r²>)^1/2	4.895

All results from a given calculation for BH2NH2 (Boranamine)

using model chemistry: B2PLYP/6-31G(2df,p)

States and conformations

All results from a given calculation for BH₂NH₂ (Boranamine)