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	hartrees
Energy at 0K	-82.023561
Energy at 298.15K	-82.027793
HF Energy	-82.023561
Nuclear repulsion energy	32.133231

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	3529	3483	11.84	131.71	0.09	0.17
2	A₁	2517	2484	97.87	148.43	0.08	0.15
3	A₁	1617	1596	64.79	3.92	0.63	0.77
4	A₁	1320	1303	62.31	14.98	0.04	0.09
5	A₁	1131	1116	0.32	12.99	0.26	0.41
6	A₂	840	829	0.00	0.94	0.75	0.86
7	B₁	985	973	21.49	0.24	0.75	0.86
8	B₁	597	589	167.70	0.10	0.75	0.86
9	B₂	3621	3574	19.28	57.42	0.75	0.86
10	B₂	2591	2558	173.05	50.90	0.75	0.86
11	B₂	1113	1098	33.20	0.18	0.75	0.86
12	B₂	731	722	0.28	0.00	0.75	0.86

Atom	y (Å)	z (Å)
B1	0.000	-0.783
N2	0.000	0.614
H3	1.050	-1.362
H4	-1.050	-1.362
H5	0.843	1.170
H6	-0.843	1.170

	B1	N2	H3	H4	H5	H6
B1		1.3962	1.1992	1.1992	2.1265	2.1265
N2	1.3962		2.2371	2.2371	1.0097	1.0097
H3	1.1992	2.2371		2.1002	2.5400	3.1609
H4	1.1992	2.2371	2.1002		3.1609	2.5400
H5	2.1265	1.0097	2.5400	3.1609		1.6853
H6	2.1265	1.0097	3.1609	2.5400	1.6853

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	N2	H5	123.427	B1	N2	H6	123.427
N2	B1	H3	118.877	N2	B1	H4	118.877
H3	B1	H4	122.246	H5	N2	H6	113.146

All results from a given calculation for BH₂NH₂ (Boranamine)

using model chemistry: B97D3/6-311+G(3df,2p)

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	0.085
2	N	-0.523
3	H	0.041
4	H	0.041
5	H	0.178
6	H	0.178

	x	y	z	Total
	0.000	0.000	1.922	1.922
CHELPG
AIM
ESP

<r²>	24.488
(<r²>)^1/2	4.949

All results from a given calculation for BH2NH2 (Boranamine)

using model chemistry: B97D3/6-311+G(3df,2p)

States and conformations

All results from a given calculation for BH₂NH₂ (Boranamine)