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	hartrees
Energy at 0K	-81.997148
Energy at 298.15K	-82.001355
HF Energy	-81.997148
Nuclear repulsion energy	32.017566

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	3490	3463	10.37	120.62	0.12	0.21
2	A₁	2548	2529	85.32	93.71	0.12	0.21
3	A₁	1609	1596	56.11	7.64	0.71	0.83
4	A₁	1329	1319	41.90	7.32	0.05	0.09
5	A₁	1139	1130	0.01	15.07	0.55	0.71
6	A₂	850	843	0.00	0.34	0.75	0.86
7	B₁	984	977	26.68	0.87	0.75	0.86
8	B₁	572	567	190.86	0.05	0.75	0.86
9	B₂	3584	3557	10.37	72.93	0.75	0.86
10	B₂	2626	2606	157.22	40.08	0.75	0.86
11	B₂	1108	1100	34.41	1.66	0.75	0.86
12	B₂	723	718	0.08	0.02	0.75	0.86

Atom	y (Å)	z (Å)
B1	0.000	-0.785
N2	0.000	0.615
H3	1.052	-1.365
H4	-1.052	-1.365
H5	0.849	1.175
H6	-0.849	1.175

	B1	N2	H3	H4	H5	H6
B1		1.3993	1.2012	1.2012	2.1359	2.1359
N2	1.3993		2.2418	2.2418	1.0175	1.0175
H3	1.2012	2.2418		2.1030	2.5486	3.1728
H4	1.2012	2.2418	2.1030		3.1728	2.5486
H5	2.1359	1.0175	2.5486	3.1728		1.6981
H6	2.1359	1.0175	3.1728	2.5486	1.6981

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	N2	H5	123.438	B1	N2	H6	123.438
N2	B1	H3	118.907	N2	B1	H4	118.907
H3	B1	H4	122.187	H5	N2	H6	113.124

All results from a given calculation for BH₂NH₂ (Boranamine)

using model chemistry: BLYP/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	0.137
2	N	-0.480
3	H	-0.072
4	H	-0.072
5	H	0.243
6	H	0.243

	x	y	z	Total
	0.000	0.000	2.185	2.185
CHELPG
AIM
ESP

<r²>	24.237
(<r²>)^1/2	4.923

All results from a given calculation for BH2NH2 (Boranamine)

using model chemistry: BLYP/6-31G**

States and conformations

All results from a given calculation for BH₂NH₂ (Boranamine)