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	hartrees
Energy at 0K	-81.563515
Energy at 298.15K	-81.567867
HF Energy	-81.563515
Nuclear repulsion energy	32.042189

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	3563	3563	23.25	100.09	0.13	0.22
2	A₁	2606	2606	79.19	88.05	0.12	0.21
3	A₁	1713	1713	76.37	8.31	0.71	0.83
4	A₁	1382	1382	44.15	8.71	0.05	0.09
5	A₁	1165	1165	0.12	14.43	0.65	0.79
6	A₂	869	869	0.00	0.53	0.75	0.86
7	B₁	1014	1014	66.07	0.38	0.75	0.86
8	B₁	777	777	278.80	0.00	0.75	0.86
9	B₂	3655	3655	22.45	64.72	0.75	0.86
10	B₂	2688	2688	153.25	31.40	0.75	0.86
11	B₂	1163	1163	45.01	1.97	0.75	0.86
12	B₂	760	760	0.08	0.08	0.75	0.86

Atom	y (Å)	z (Å)
B1	0.000	-0.783
N2	0.000	0.617
H3	1.047	-1.369
H4	-1.047	-1.369
H5	0.851	1.168
H6	-0.851	1.168

	B1	N2	H3	H4	H5	H6
B1		1.4003	1.1993	1.1993	2.1292	2.1292
N2	1.4003		2.2447	2.2447	1.0144	1.0144
H3	1.1993	2.2447		2.0936	2.5445	3.1685
H4	1.1993	2.2447	2.0936		3.1685	2.5445
H5	2.1292	1.0144	2.5445	3.1685		1.7029
H6	2.1292	1.0144	3.1685	2.5445	1.7029

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	N2	H5	122.923	B1	N2	H6	122.923
N2	B1	H3	119.214	N2	B1	H4	119.214
H3	B1	H4	121.571	H5	N2	H6	114.154

All results from a given calculation for BH₂NH₂ (Boranamine)

using model chemistry: wB97X-D/3-21G

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	0.156
2	N	-0.760
3	H	-0.020
4	H	-0.020
5	H	0.322
6	H	0.322

	x	y	z	Total
	0.000	0.000	2.376	2.376
CHELPG
AIM
ESP

<r²>	24.279
(<r²>)^1/2	4.927

All results from a given calculation for BH2NH2 (Boranamine)

using model chemistry: wB97X-D/3-21G

States and conformations

All results from a given calculation for BH₂NH₂ (Boranamine)