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	hartrees
Energy at 0K	-81.945049
Energy at 298.15K	-81.949305
HF Energy	-81.857488
Nuclear repulsion energy	32.139264

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	3608	3455	25.36	114.40	0.11	0.20
2	A₁	2600	2490	97.90	123.86	0.11	0.20
3	A₁	1631	1562	61.85	5.41	0.75	0.85
4	A₁	1364	1307	45.35	8.64	0.07	0.13
5	A₁	1160	1111	0.01	14.11	0.51	0.68
6	A₂	870	833	0.00	1.31	0.75	0.86
7	B₁	1015	972	23.49	0.76	0.75	0.86
8	B₁	591	566	173.43	0.04	0.75	0.86
9	B₂	3711	3554	26.30	67.60	0.75	0.86
10	B₂	2678	2564	174.51	41.65	0.75	0.86
11	B₂	1136	1088	32.28	1.27	0.75	0.86
12	B₂	746	714	0.16	0.03	0.75	0.86

Atom	y (Å)	z (Å)
B1	0.000	-0.779
N2	0.000	0.612
H3	1.055	-1.362
H4	-1.055	-1.362
H5	0.847	1.167
H6	-0.847	1.167

	B1	N2	H3	H4	H5	H6
B1		1.3913	1.2051	1.2051	2.1223	2.1223
N2	1.3913		2.2386	2.2386	1.0123	1.0123
H3	1.2051	2.2386		2.1090	2.5380	3.1643
H4	1.2051	2.2386	2.1090		3.1643	2.5380
H5	2.1223	1.0123	2.5380	3.1643		1.6935
H6	2.1223	1.0123	3.1643	2.5380	1.6935

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	N2	H5	123.235	B1	N2	H6	123.235
N2	B1	H3	118.951	N2	B1	H4	118.951
H3	B1	H4	122.097	H5	N2	H6	113.530

All results from a given calculation for BH₂NH₂ (Boranamine)

using model chemistry: B2PLYP/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	-0.060
2	N	0.008
3	H	-0.070
4	H	-0.070
5	H	0.095
6	H	0.095

	x	y	z	Total
	0.000	0.000	2.194	2.194
CHELPG
AIM
ESP

<r²>	24.306
(<r²>)^1/2	4.930

All results from a given calculation for BH2NH2 (Boranamine)

using model chemistry: B2PLYP/cc-pVDZ

States and conformations

All results from a given calculation for BH₂NH₂ (Boranamine)