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	hartrees
Energy at 0K	-81.924536
Energy at 298.15K	-81.928755
HF Energy	-81.924536
Nuclear repulsion energy	31.985293

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	3519	3479	14.99	125.09	0.10	0.18
2	A₁	2536	2507	94.60	126.71	0.13	0.23
3	A₁	1599	1581	73.61	4.66	0.48	0.65
4	A₁	1317	1302	49.25	16.38	0.05	0.10
5	A₁	1121	1108	0.03	12.51	0.48	0.65
6	A₂	840	831	0.00	4.01	0.75	0.86
7	B₁	964	953	18.63	0.75	0.75	0.86
8	B₁	608	601	216.93	0.69	0.75	0.86
9	B₂	3621	3580	25.31	58.84	0.75	0.86
10	B₂	2616	2586	174.43	50.90	0.75	0.86
11	B₂	1096	1083	42.21	1.03	0.75	0.86
12	B₂	719	711	0.08	0.04	0.75	0.86

Atom	y (Å)	z (Å)
B1	0.000	-0.785
N2	0.000	0.615
H3	1.057	-1.365
H4	-1.057	-1.365
H5	0.850	1.174
H6	-0.850	1.174

	B1	N2	H3	H4	H5	H6
B1		1.4006	1.2056	1.2056	2.1358	2.1358
N2	1.4006		2.2444	2.2444	1.0173	1.0173
H3	1.2056	2.2444		2.1146	2.5471	3.1753
H4	1.2056	2.2444	2.1146		3.1753	2.5471
H5	2.1358	1.0173	2.5471	3.1753		1.7000
H6	2.1358	1.0173	3.1753	2.5471	1.7000

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	N2	H5	123.324	B1	N2	H6	123.324
N2	B1	H3	118.716	N2	B1	H4	118.716
H3	B1	H4	122.568	H5	N2	H6	113.352

All results from a given calculation for BH₂NH₂ (Boranamine)

using model chemistry: PBEPBE/6-31+G**

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	0.140
2	N	-0.705
3	H	-0.028
4	H	-0.028
5	H	0.311
6	H	0.311

	x	y	z	Total
	0.000	0.000	2.036	2.036
CHELPG
AIM
ESP

<r²>	24.631
(<r²>)^1/2	4.963

All results from a given calculation for BH2NH2 (Boranamine)

using model chemistry: PBEPBE/6-31+G**

States and conformations

All results from a given calculation for BH₂NH₂ (Boranamine)