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	hartrees
Energy at 0K	-81.950284
Energy at 298.15K	-81.954504
HF Energy	-81.950284
Nuclear repulsion energy	32.102696

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	3501	3501	14.05	145.95	0.08	0.14
2	A₁	2519	2519	86.29	160.71	0.07	0.13
3	A₁	1594	1594	64.82	4.00	0.65	0.79
4	A₁	1322	1322	49.46	17.61	0.05	0.09
5	A₁	1119	1119	0.00	13.11	0.24	0.38
6	A₂	844	844	0.00	0.72	0.75	0.86
7	B₁	969	969	17.24	0.11	0.75	0.86
8	B₁	606	606	160.72	0.11	0.75	0.86
9	B₂	3590	3590	22.34	59.60	0.75	0.86
10	B₂	2598	2598	149.44	50.92	0.75	0.86
11	B₂	1098	1098	30.18	0.10	0.75	0.86
12	B₂	719	719	0.18	0.00	0.75	0.86

Atom	y (Å)	z (Å)
B1	0.000	-0.782
N2	0.000	0.613
H3	1.053	-1.361
H4	-1.053	-1.361
H5	0.847	1.171
H6	-0.847	1.171

	B1	N2	H3	H4	H5	H6
B1		1.3946	1.2017	1.2017	2.1282	2.1282
N2	1.3946		2.2371	2.2371	1.0141	1.0141
H3	1.2017	2.2371		2.1059	2.5401	3.1652
H4	1.2017	2.2371	2.1059		3.1652	2.5401
H5	2.1282	1.0141	2.5401	3.1652		1.6937
H6	2.1282	1.0141	3.1652	2.5401	1.6937

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	N2	H5	123.377	B1	N2	H6	123.377
N2	B1	H3	118.814	N2	B1	H4	118.814
H3	B1	H4	122.371	H5	N2	H6	113.246

All results from a given calculation for BH₂NH₂ (Boranamine)

using model chemistry: PBEPBEultrafine/daug-cc-pVTZ

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	-0.361
2	N	-0.057
3	H	-0.128
4	H	-0.128
5	H	0.337
6	H	0.337

	x	y	z	Total
	0.000	0.000	1.988	1.988
CHELPG
AIM
ESP

<r²>	24.536
(<r²>)^1/2	4.953

All results from a given calculation for BH2NH2 (Boranamine)

using model chemistry: PBEPBEultrafine/daug-cc-pVTZ

States and conformations

All results from a given calculation for BH₂NH₂ (Boranamine)