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	hartrees
Energy at 0K	-82.048227
Energy at 298.15K	-82.052476
HF Energy	-82.048227
Nuclear repulsion energy	32.218928

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	3601	3460	17.45	110.52	0.12	0.21
2	A₁	2601	2499	91.47	93.79	0.12	0.21
3	A₁	1651	1587	71.15	6.31	0.74	0.85
4	A₁	1367	1313	49.07	6.61	0.04	0.08
5	A₁	1165	1119	0.08	14.21	0.55	0.71
6	A₂	862	828	0.00	0.49	0.75	0.86
7	B₁	1015	975	35.89	1.09	0.75	0.86
8	B₁	597	574	210.59	0.02	0.75	0.86
9	B₂	3700	3555	18.14	65.86	0.75	0.86
10	B₂	2678	2573	165.08	37.94	0.75	0.86
11	B₂	1136	1092	38.33	1.54	0.75	0.86
12	B₂	741	712	0.04	0.00	0.75	0.86

Atom	y (Å)	z (Å)
B1	0.000	-0.779
N2	0.000	0.612
H3	1.045	-1.359
H4	-1.045	-1.359
H5	0.844	1.166
H6	-0.844	1.166

	B1	N2	H3	H4	H5	H6
B1		1.3910	1.1956	1.1956	2.1198	2.1198
N2	1.3910		2.2313	2.2313	1.0092	1.0092
H3	1.1956	2.2313		2.0905	2.5331	3.1535
H4	1.1956	2.2313	2.0905		3.1535	2.5331
H5	2.1198	1.0092	2.5331	3.1535		1.6876
H6	2.1198	1.0092	3.1535	2.5331	1.6876

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	N2	H5	123.269	B1	N2	H6	123.269
N2	B1	H3	119.044	N2	B1	H4	119.044
H3	B1	H4	121.912	H5	N2	H6	113.461

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	0.166
2	N	-0.537
3	H	-0.074
4	H	-0.074
5	H	0.260
6	H	0.260

	x	y	z	Total
	0.000	0.000	2.107	2.107
CHELPG
AIM
ESP

<r²>	24.016
(<r²>)^1/2	4.901

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)