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	hartrees
Energy at 0K	-82.080117
Energy at 298.15K	-82.084392
HF Energy	-82.080117
Nuclear repulsion energy	32.303069

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	3588	18.73	122.40	0.09	0.17
2	A₁	2578	2578	97.03	142.65	0.08	0.14
3	A₁	1648	1648	75.60	3.69	0.60	0.75
4	A₁	1358	1358	63.85	12.96	0.04	0.08
5	A₁	1159	1159	0.57	12.05	0.26	0.42
6	A₂	853	853	0.00	0.81	0.75	0.86
7	B₁	1016	1016	26.89	0.20	0.75	0.86
8	B₁	627	627	177.31	0.10	0.75	0.86
9	B₂	3677	3677	26.38	53.47	0.75	0.86
10	B₂	2651	2651	164.15	47.05	0.75	0.86
11	B₂	1138	1138	34.07	0.20	0.75	0.86
12	B₂	749	749	0.25	0.00	0.75	0.86

Atom	y (Å)	z (Å)
B1	0.000	-0.778
N2	0.000	0.610
H3	1.041	-1.356
H4	-1.041	-1.356
H5	0.841	1.164
H6	-0.841	1.164

	B1	N2	H3	H4	H5	H6
B1		1.3879	1.1908	1.1908	2.1158	2.1158
N2	1.3879		2.2246	2.2246	1.0067	1.0067
H3	1.1908	2.2246		2.0821	2.5276	3.1449
H4	1.1908	2.2246	2.0821		3.1449	2.5276
H5	2.1158	1.0067	2.5276	3.1449		1.6816
H6	2.1158	1.0067	3.1449	2.5276	1.6816

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	N2	H5	123.366	B1	N2	H6	123.366
N2	B1	H3	119.044	N2	B1	H4	119.044
H3	B1	H4	121.912	H5	N2	H6	113.268

All results from a given calculation for BH₂NH₂ (Boranamine)

using model chemistry: B3LYPultrafine/6-311+G(3df,2p)

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	0.017
2	N	-0.530
3	H	0.060
4	H	0.060
5	H	0.197
6	H	0.197

	x	y	z	Total
	0.000	0.000	1.887	1.887
CHELPG
AIM
ESP

<r²>	24.323
(<r²>)^1/2	4.932

All results from a given calculation for BH2NH2 (Boranamine)

using model chemistry: B3LYPultrafine/6-311+G(3df,2p)

States and conformations

All results from a given calculation for BH₂NH₂ (Boranamine)