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	hartrees
Energy at 0K	-81.940130
Energy at 298.15K	-81.944363
HF Energy	-81.940130
Nuclear repulsion energy	32.098959

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	3509	3477	13.49	128.45	0.12	0.22
2	A₁	2516	2493	86.01	127.52	0.11	0.20
3	A₁	1600	1585	63.23	5.23	0.71	0.83
4	A₁	1327	1315	36.54	7.51	0.05	0.09
5	A₁	1120	1110	0.19	13.98	0.53	0.69
6	A₂	860	852	0.00	2.14	0.75	0.86
7	B₁	969	960	20.00	1.77	0.75	0.86
8	B₁	603	598	190.25	0.00	0.75	0.86
9	B₂	3602	3569	18.57	73.83	0.75	0.86
10	B₂	2594	2571	153.56	50.64	0.75	0.86
11	B₂	1104	1094	33.29	0.81	0.75	0.86
12	B₂	724	718	0.03	0.00	0.75	0.86

Atom	y (Å)	z (Å)
B1	0.000	-0.781
N2	0.000	0.612
H3	1.053	-1.361
H4	-1.053	-1.361
H5	0.849	1.170
H6	-0.849	1.170

	B1	N2	H3	H4	H5	H6
B1		1.3932	1.2029	1.2029	2.1272	2.1272
N2	1.3932		2.2374	2.2374	1.0158	1.0158
H3	1.2029	2.2374		2.1069	2.5391	3.1665
H4	1.2029	2.2374	2.1069		3.1665	2.5391
H5	2.1272	1.0158	2.5391	3.1665		1.6989
H6	2.1272	1.0158	3.1665	2.5391	1.6989

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	N2	H5	123.256	B1	N2	H6	123.256
N2	B1	H3	118.862	N2	B1	H4	118.862
H3	B1	H4	122.276	H5	N2	H6	113.488

All results from a given calculation for BH₂NH₂ (Boranamine)

using model chemistry: PBEPBE/6-311G**

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	0.048
2	N	-0.384
3	H	-0.045
4	H	-0.045
5	H	0.212
6	H	0.212

	x	y	z	Total
	0.000	0.000	2.210	2.210
CHELPG
AIM
ESP

<r²>	24.404
(<r²>)^1/2	4.940

All results from a given calculation for BH2NH2 (Boranamine)

using model chemistry: PBEPBE/6-311G**

States and conformations

All results from a given calculation for BH₂NH₂ (Boranamine)