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	hartrees
Energy at 0K	-82.057644
Energy at 298.15K	-82.061900
HF Energy	-82.057644
Nuclear repulsion energy	32.097879

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	3557	3440	13.55	135.13	0.08	0.15
2	A₁	2584	2500	98.02	148.09	0.07	0.14
3	A₁	1644	1590	68.40	3.64	0.62	0.76
4	A₁	1339	1295	62.09	13.82	0.04	0.07
5	A₁	1149	1112	0.55	14.36	0.23	0.38
6	A₂	855	828	0.00	0.77	0.75	0.86
7	B₁	1004	972	19.41	0.13	0.75	0.86
8	B₁	612	592	172.96	0.22	0.75	0.86
9	B₂	3657	3537	19.00	57.94	0.75	0.86
10	B₂	2664	2577	167.32	47.22	0.75	0.86
11	B₂	1130	1094	32.80	0.22	0.75	0.86
12	B₂	727	703	0.44	0.00	0.75	0.86

Atom	y (Å)	z (Å)
B1	0.000	-0.783
N2	0.000	0.614
H3	1.054	-1.360
H4	-1.054	-1.360
H5	0.846	1.169
H6	-0.846	1.169

	B1	N2	H3	H4	H5	H6
B1		1.3965	1.2014	1.2014	2.1279	2.1279
N2	1.3965		2.2373	2.2373	1.0125	1.0125
H3	1.2014	2.2373		2.1075	2.5379	3.1635
H4	1.2014	2.2373	2.1075		3.1635	2.5379
H5	2.1279	1.0125	2.5379	3.1635		1.6926
H6	2.1279	1.0125	3.1635	2.5379	1.6926

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	N2	H5	123.296	B1	N2	H6	123.296
N2	B1	H3	118.708	N2	B1	H4	118.708
H3	B1	H4	122.585	H5	N2	H6	113.408

All results from a given calculation for BH₂NH₂ (Boranamine)

using model chemistry: TPSSh/aug-cc-pVDZ

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	-0.623
2	N	-0.002
3	H	0.314
4	H	0.314
5	H	-0.001
6	H	-0.001

	x	y	z	Total
	0.000	0.000	1.908	1.908
CHELPG
AIM
ESP

<r²>	24.463
(<r²>)^1/2	4.946

All results from a given calculation for BH2NH2 (Boranamine)

using model chemistry: TPSSh/aug-cc-pVDZ

States and conformations

All results from a given calculation for BH₂NH₂ (Boranamine)