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	hartrees
Energy at 0K	-82.022039
Energy at 298.15K	-82.026304
HF Energy	-82.022039
Nuclear repulsion energy	32.180660

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	3646	3472	23.63	107.73	0.10	0.18
2	A₁	2585	2462	112.46	121.76	0.13	0.23
3	A₁	1657	1578	95.83	4.48	0.44	0.61
4	A₁	1363	1298	65.64	11.70	0.03	0.06
5	A₁	1160	1105	0.85	12.55	0.46	0.63
6	A₂	849	808	0.00	4.54	0.75	0.86
7	B₁	1014	966	35.62	1.20	0.75	0.86
8	B₁	625	595	239.70	0.77	0.75	0.86
9	B₂	3754	3575	33.76	50.02	0.75	0.86
10	B₂	2663	2536	199.57	45.54	0.75	0.86
11	B₂	1137	1083	47.87	1.13	0.75	0.86
12	B₂	749	713	0.01	0.09	0.75	0.86

Atom	y (Å)	z (Å)
B1	0.000	-0.781
N2	0.000	0.613
H3	1.049	-1.360
H4	-1.049	-1.360
H5	0.844	1.164
H6	-0.844	1.164

	B1	N2	H3	H4	H5	H6
B1		1.3942	1.1982	1.1982	2.1203	2.1203
N2	1.3942		2.2347	2.2347	1.0080	1.0080
H3	1.1982	2.2347		2.0979	2.5323	3.1551
H4	1.1982	2.2347	2.0979		3.1551	2.5323
H5	2.1203	1.0080	2.5323	3.1551		1.6885
H6	2.1203	1.0080	3.1551	2.5323	1.6885

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	N2	H5	123.118	B1	N2	H6	123.118
N2	B1	H3	118.900	N2	B1	H4	118.900
H3	B1	H4	122.200	H5	N2	H6	113.764

All results from a given calculation for BH₂NH₂ (Boranamine)

using model chemistry: wB97X-D/6-31+G**

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	0.216
2	N	-0.758
3	H	-0.050
4	H	-0.050
5	H	0.321
6	H	0.321

	x	y	z	Total
	0.000	0.000	1.905	1.905
CHELPG
AIM
ESP

<r²>	24.333
(<r²>)^1/2	4.933

All results from a given calculation for BH2NH2 (Boranamine)

using model chemistry: wB97X-D/6-31+G**

States and conformations

All results from a given calculation for BH₂NH₂ (Boranamine)