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	hartrees
Energy at 0K	-82.062869
Energy at 298.15K	-82.067136
HF Energy	-82.062869
Nuclear repulsion energy	32.269633

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	3588	3467	12.22	114.77	0.14	0.24
2	A₁	2562	2475	98.89	117.29	0.12	0.22
3	A₁	1690	1633	75.76	4.59	0.72	0.84
4	A₁	1360	1314	52.10	5.34	0.02	0.04
5	A₁	1151	1112	0.00	13.74	0.52	0.69
6	A₂	874	845	0.00	1.93	0.75	0.86
7	B₁	1006	972	32.80	1.94	0.75	0.86
8	B₁	612	592	235.30	0.00	0.75	0.86
9	B₂	3680	3556	14.07	68.80	0.75	0.86
10	B₂	2636	2547	176.69	46.99	0.75	0.86
11	B₂	1149	1110	40.87	0.84	0.75	0.86
12	B₂	753	728	0.10	0.00	0.75	0.86

Atom	y (Å)	z (Å)
B1	0.000	-0.777
N2	0.000	0.611
H3	1.045	-1.357
H4	-1.045	-1.357
H5	0.844	1.163
H6	-0.844	1.163

	B1	N2	H3	H4	H5	H6
B1		1.3877	1.1953	1.1953	2.1154	2.1154
N2	1.3877		2.2280	2.2280	1.0083	1.0083
H3	1.1953	2.2280		2.0905	2.5279	3.1492
H4	1.1953	2.2280	2.0905		3.1492	2.5279
H5	2.1154	1.0083	2.5279	3.1492		1.6871
H6	2.1154	1.0083	3.1492	2.5279	1.6871

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	N2	H5	123.213	B1	N2	H6	123.213
N2	B1	H3	119.022	N2	B1	H4	119.022
H3	B1	H4	121.956	H5	N2	H6	113.575

All results from a given calculation for BH₂NH₂ (Boranamine)

using model chemistry: B3LYP/6-311G*

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	0.055
2	N	-0.742
3	H	0.006
4	H	0.006
5	H	0.338
6	H	0.338

	x	y	z	Total
	0.000	0.000	2.145	2.145
CHELPG
AIM
ESP

<r²>	24.263
(<r²>)^1/2	4.926

All results from a given calculation for BH2NH2 (Boranamine)

using model chemistry: B3LYP/6-311G*

States and conformations

All results from a given calculation for BH₂NH₂ (Boranamine)