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	hartrees
Energy at 0K	-82.007957
Energy at 298.15K	-82.012203
HF Energy	-82.007957
Nuclear repulsion energy	32.195747

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	3638	3450	21.81	98.75	0.13	0.22
2	A₁	2602	2468	100.68	94.80	0.12	0.21
3	A₁	1684	1597	84.47	5.42	0.75	0.86
4	A₁	1378	1307	53.48	6.32	0.04	0.08
5	A₁	1165	1105	0.09	13.76	0.57	0.72
6	A₂	863	819	0.00	0.88	0.75	0.86
7	B₁	1014	962	41.29	1.49	0.75	0.86
8	B₁	598	568	241.49	0.01	0.75	0.86
9	B₂	3735	3542	23.37	60.06	0.75	0.86
10	B₂	2682	2544	180.14	35.34	0.75	0.86
11	B₂	1140	1082	42.27	1.65	0.75	0.86
12	B₂	745	707	0.05	0.02	0.75	0.86

Atom	y (Å)	z (Å)
B1	0.000	-0.779
N2	0.000	0.612
H3	1.049	-1.360
H4	-1.049	-1.360
H5	0.844	1.165
H6	-0.844	1.165

	B1	N2	H3	H4	H5	H6
B1		1.3916	1.1993	1.1993	2.1195	2.1195
N2	1.3916		2.2340	2.2340	1.0089	1.0089
H3	1.1993	2.2340		2.0988	2.5329	3.1559
H4	1.1993	2.2340	2.0988		3.1559	2.5329
H5	2.1195	1.0089	2.5329	3.1559		1.6886
H6	2.1195	1.0089	3.1559	2.5329	1.6886

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	N2	H5	123.195	B1	N2	H6	123.195
N2	B1	H3	118.953	N2	B1	H4	118.953
H3	B1	H4	122.095	H5	N2	H6	113.609

All results from a given calculation for BH₂NH₂ (Boranamine)

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

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	0.099
2	N	-0.719
3	H	-0.036
4	H	-0.036
5	H	0.346
6	H	0.346

	x	y	z	Total
	0.000	0.000	2.093	2.093
CHELPG
AIM
ESP

<r²>	24.009
(<r²>)^1/2	4.900

All results from a given calculation for BH2NH2 (Boranamine)

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

States and conformations

All results from a given calculation for BH₂NH₂ (Boranamine)