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	hartrees
Energy at 0K	-82.082382
Energy at 298.15K	-82.086656
HF Energy	-82.082382
Nuclear repulsion energy	32.285925

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	3466	19.07	130.05	0.08	0.15
2	A₁	2579	2495	96.75	152.77	0.07	0.13
3	A₁	1648	1595	73.98	3.69	0.65	0.79
4	A₁	1356	1312	65.36	13.21	0.04	0.07
5	A₁	1156	1118	0.69	13.61	0.22	0.37
6	A₂	853	825	0.00	0.67	0.75	0.86
7	B₁	1017	984	26.42	0.11	0.75	0.86
8	B₁	623	603	173.47	0.15	0.75	0.86
9	B₂	3670	3551	25.93	53.08	0.75	0.86
10	B₂	2654	2568	164.57	46.67	0.75	0.86
11	B₂	1137	1100	33.88	0.16	0.75	0.86
12	B₂	747	723	0.34	0.00	0.75	0.86

Atom	y (Å)	z (Å)
B1	0.000	-0.778
N2	0.000	0.611
H3	1.042	-1.356
H4	-1.042	-1.356
H5	0.841	1.164
H6	-0.841	1.164

	B1	N2	H3	H4	H5	H6
B1		1.3895	1.1914	1.1914	2.1165	2.1165
N2	1.3895		2.2263	2.2263	1.0062	1.0062
H3	1.1914	2.2263		2.0836	2.5284	3.1458
H4	1.1914	2.2263	2.0836		3.1458	2.5284
H5	2.1165	1.0062	2.5284	3.1458		1.6813
H6	2.1165	1.0062	3.1458	2.5284	1.6813

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	N2	H5	123.336	B1	N2	H6	123.336
N2	B1	H3	119.021	N2	B1	H4	119.021
H3	B1	H4	121.959	H5	N2	H6	113.328

All results from a given calculation for BH₂NH₂ (Boranamine)

using model chemistry: B3LYP/aug-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	-0.026
2	N	-0.164
3	H	-0.052
4	H	-0.052
5	H	0.147
6	H	0.147

	x	y	z	Total
	0.000	0.000	1.880	1.880
CHELPG
AIM
ESP

<r²>	24.341
(<r²>)^1/2	4.934

All results from a given calculation for BH2NH2 (Boranamine)

using model chemistry: B3LYP/aug-cc-pVTZ

States and conformations

All results from a given calculation for BH₂NH₂ (Boranamine)