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	hartrees
Energy at 0K	-82.052478
Energy at 298.15K	-82.056746
HF Energy	-82.052478
Nuclear repulsion energy	32.239703

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	3587	3462	16.86	106.53	0.11	0.20
2	A₁	2600	2509	91.03	96.94	0.11	0.21
3	A₁	1656	1598	57.74	5.99	0.74	0.85
4	A₁	1368	1320	53.02	7.36	0.04	0.08
5	A₁	1169	1128	0.14	14.25	0.50	0.67
6	A₂	872	842	0.00	0.50	0.75	0.86
7	B₁	1014	979	28.04	0.18	0.75	0.86
8	B₁	621	599	171.43	0.05	0.75	0.86
9	B₂	3679	3550	18.61	64.11	0.75	0.86
10	B₂	2677	2584	153.75	39.34	0.75	0.86
11	B₂	1138	1099	33.41	1.24	0.75	0.86
12	B₂	735	709	0.01	0.00	0.75	0.86

Atom	y (Å)	z (Å)
B1	0.000	-0.780
N2	0.000	0.611
H3	1.047	-1.356
H4	-1.047	-1.356
H5	0.841	1.168
H6	-0.841	1.168

	B1	N2	H3	H4	H5	H6
B1		1.3902	1.1948	1.1948	2.1211	2.1211
N2	1.3902		2.2277	2.2277	1.0085	1.0085
H3	1.1948	2.2277		2.0931	2.5323	3.1514
H4	1.1948	2.2277	2.0931		3.1514	2.5323
H5	2.1211	1.0085	2.5323	3.1514		1.6811
H6	2.1211	1.0085	3.1514	2.5323	1.6811

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	N2	H5	123.546	B1	N2	H6	123.546
N2	B1	H3	118.846	N2	B1	H4	118.846
H3	B1	H4	122.309	H5	N2	H6	112.908

All results from a given calculation for BH₂NH₂ (Boranamine)

using model chemistry: TPSSh/6-31G(2df,p)

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	-0.105
2	N	-0.368
3	H	-0.033
4	H	-0.033
5	H	0.270
6	H	0.270

	x	y	z	Total
	0.000	0.000	2.095	2.095
CHELPG
AIM
ESP

<r²>	23.986
(<r²>)^1/2	4.898

All results from a given calculation for BH2NH2 (Boranamine)

using model chemistry: TPSSh/6-31G(2df,p)

States and conformations

All results from a given calculation for BH₂NH₂ (Boranamine)