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	hartrees
Energy at 0K	-82.031802
Energy at 298.15K	-82.036079
HF Energy	-82.031802
Nuclear repulsion energy	32.308436

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	3618	3458	29.79	122.57	0.08	0.14
2	A₁	2627	2510	99.17	153.28	0.06	0.11
3	A₁	1643	1571	87.32	3.58	0.58	0.73
4	A₁	1370	1309	67.49	12.00	0.04	0.08
5	A₁	1164	1112	1.03	10.78	0.24	0.38
6	A₂	852	814	0.00	0.45	0.75	0.86
7	B₁	1026	981	31.20	0.13	0.75	0.86
8	B₁	628	600	180.42	0.13	0.75	0.86
9	B₂	3712	3548	36.93	46.55	0.75	0.86
10	B₂	2706	2586	157.76	41.21	0.75	0.86
11	B₂	1134	1084	34.55	0.28	0.75	0.86
12	B₂	741	709	0.21	0.00	0.75	0.86

Atom	y (Å)	z (Å)
B1	0.000	-0.778
N2	0.000	0.611
H3	1.041	-1.354
H4	-1.041	-1.354
H5	0.841	1.162
H6	-0.841	1.162

	B1	N2	H3	H4	H5	H6
B1		1.3891	1.1896	1.1896	2.1148	2.1148
N2	1.3891		2.2235	2.2235	1.0055	1.0055
H3	1.1896	2.2235		2.0821	2.5239	3.1420
H4	1.1896	2.2235	2.0821		3.1420	2.5239
H5	2.1148	1.0055	2.5239	3.1420		1.6820
H6	2.1148	1.0055	3.1420	2.5239	1.6820

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	N2	H5	123.243	B1	N2	H6	123.243
N2	B1	H3	118.938	N2	B1	H4	118.938
H3	B1	H4	122.124	H5	N2	H6	113.514

All results from a given calculation for BH₂NH₂ (Boranamine)

using model chemistry: M06-2X/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	-0.027
2	N	-0.316
3	H	-0.072
4	H	-0.072
5	H	0.244
6	H	0.244

	x	y	z	Total
	0.000	0.000	1.761	1.761
CHELPG
AIM
ESP

<r²>	24.231
(<r²>)^1/2	4.923

All results from a given calculation for BH2NH2 (Boranamine)

using model chemistry: M06-2X/aug-cc-pVTZ

States and conformations

All results from a given calculation for BH₂NH₂ (Boranamine)