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	hartrees
Energy at 0K	-81.951638
Energy at 298.15K	-81.955866
HF Energy	-81.951638
Nuclear repulsion energy	32.123282

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	3507	3507	14.65	133.32	0.09	0.17
2	A₁	2521	2521	83.86	133.37	0.10	0.17
3	A₁	1595	1595	63.07	4.57	0.72	0.84
4	A₁	1326	1326	42.24	13.03	0.04	0.07
5	A₁	1122	1122	0.01	11.95	0.46	0.63
6	A₂	848	848	0.00	0.99	0.75	0.86
7	B₁	971	971	17.66	0.00	0.75	0.86
8	B₁	607	607	166.00	0.02	0.75	0.86
9	B₂	3598	3598	21.55	62.39	0.75	0.86
10	B₂	2602	2602	150.09	45.34	0.75	0.86
11	B₂	1101	1101	31.13	0.53	0.75	0.86
12	B₂	722	722	0.05	0.03	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	0.847	1.170
H6	-0.847	1.170

	B1	N2	H3	H4	H5	H6
B1		1.3928	1.2020	1.2020	2.1265	2.1265
N2	1.3928		2.2361	2.2361	1.0140	1.0140
H3	1.2020	2.2361		2.1056	2.5391	3.1643
H4	1.2020	2.2361	2.1056		3.1643	2.5391
H5	2.1265	1.0140	2.5391	3.1643		1.6935
H6	2.1265	1.0140	3.1643	2.5391	1.6935

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	N2	H5	123.381	B1	N2	H6	123.381
N2	B1	H3	118.852	N2	B1	H4	118.852
H3	B1	H4	122.296	H5	N2	H6	113.238

All results from a given calculation for BH₂NH₂ (Boranamine)

using model chemistry: PBEPBEultrafine/Def2TZVPP

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	-0.069
2	N	-0.260
3	H	-0.014
4	H	-0.014
5	H	0.179
6	H	0.179

	x	y	z	Total
	0.000	0.000	2.064	2.064
CHELPG
AIM
ESP

<r²>	24.465
(<r²>)^1/2	4.946

All results from a given calculation for BH2NH2 (Boranamine)

using model chemistry: PBEPBEultrafine/Def2TZVPP

States and conformations

All results from a given calculation for BH₂NH₂ (Boranamine)