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	hartrees
Energy at 0K	-82.039324
Energy at 298.15K	-82.043561
HF Energy	-82.039324
Nuclear repulsion energy	32.176785

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	3582	3440	16.18	108.20	0.13	0.22
2	A₁	2611	2507	93.51	93.79	0.12	0.22
3	A₁	1674	1607	71.48	6.37	0.73	0.85
4	A₁	1366	1312	51.76	6.35	0.04	0.08
5	A₁	1162	1116	0.04	14.16	0.56	0.72
6	A₂	864	830	0.00	0.55	0.75	0.86
7	B₁	1011	971	35.79	1.22	0.75	0.86
8	B₁	590	566	224.40	0.00	0.75	0.86
9	B₂	3670	3525	16.07	66.53	0.75	0.86
10	B₂	2688	2582	169.44	38.19	0.75	0.86
11	B₂	1136	1091	39.47	1.61	0.75	0.86
12	B₂	740	710	0.06	0.00	0.75	0.86

Atom	y (Å)	z (Å)
B1	0.000	-0.780
N2	0.000	0.612
H3	1.047	-1.360
H4	-1.047	-1.360
H5	0.844	1.168
H6	-0.844	1.168

	B1	N2	H3	H4	H5	H6
B1		1.3924	1.1970	1.1970	2.1237	2.1237
N2	1.3924		2.2331	2.2331	1.0112	1.0112
H3	1.1970	2.2331		2.0943	2.5367	3.1578
H4	1.1970	2.2331	2.0943		3.1578	2.5367
H5	2.1237	1.0112	2.5367	3.1578		1.6889
H6	2.1237	1.0112	3.1578	2.5367	1.6889

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	N2	H5	123.370	B1	N2	H6	123.370
N2	B1	H3	118.980	N2	B1	H4	118.980
H3	B1	H4	122.040	H5	N2	H6	113.260

All results from a given calculation for BH₂NH₂ (Boranamine)

using model chemistry: B3LYP/6-31G*

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	0.102
2	N	-0.667
3	H	-0.043
4	H	-0.043
5	H	0.325
6	H	0.325

	x	y	z	Total
	0.000	0.000	2.122	2.122
CHELPG
AIM
ESP

<r²>	24.056
(<r²>)^1/2	4.905

All results from a given calculation for BH2NH2 (Boranamine)

using model chemistry: B3LYP/6-31G*

States and conformations

All results from a given calculation for BH₂NH₂ (Boranamine)