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	hartrees
Energy at 0K	-82.045843
Energy at 298.15K	-82.050120
HF Energy	-82.045843
Nuclear repulsion energy	32.319200

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	3629	3469	22.95	111.47	0.10	0.18
2	A₁	2570	2457	98.60	136.95	0.09	0.17
3	A₁	1652	1579	78.48	3.86	0.75	0.86
4	A₁	1372	1311	55.91	8.00	0.04	0.08
5	A₁	1160	1109	0.43	10.88	0.43	0.60
6	A₂	858	820	0.00	1.37	0.75	0.86
7	B₁	1017	972	29.73	0.08	0.75	0.86
8	B₁	623	595	184.12	0.06	0.75	0.86
9	B₂	3727	3563	27.62	52.51	0.75	0.86
10	B₂	2647	2531	169.49	42.16	0.75	0.86
11	B₂	1139	1089	35.48	0.72	0.75	0.86
12	B₂	749	716	0.20	0.00	0.75	0.86

Atom	y (Å)	z (Å)
B1	0.000	-0.776
N2	0.000	0.610
H3	1.045	-1.356
H4	-1.045	-1.356
H5	0.841	1.160
H6	-0.841	1.160

	B1	N2	H3	H4	H5	H6
B1		1.3867	1.1950	1.1950	2.1108	2.1108
N2	1.3867		2.2269	2.2269	1.0043	1.0043
H3	1.1950	2.2269		2.0899	2.5243	3.1441
H4	1.1950	2.2269	2.0899		3.1441	2.5243
H5	2.1108	1.0043	2.5243	3.1441		1.6812
H6	2.1108	1.0043	3.1441	2.5243	1.6812

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	N2	H5	123.171	B1	N2	H6	123.171
N2	B1	H3	119.023	N2	B1	H4	119.023
H3	B1	H4	121.953	H5	N2	H6	113.658

All results from a given calculation for BH₂NH₂ (Boranamine)

using model chemistry: wB97X-D/cc-pVTZ

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	-0.149
2	N	-0.208
3	H	0.018
4	H	0.018
5	H	0.160
6	H	0.160

	x	y	z	Total
	0.000	0.000	1.994	1.994
CHELPG
AIM
ESP

<r²>	24.151
(<r²>)^1/2	4.914

All results from a given calculation for BH2NH2 (Boranamine)

using model chemistry: wB97X-D/cc-pVTZ

States and conformations

All results from a given calculation for BH₂NH₂ (Boranamine)