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	hartrees
Energy at 0K	-81.932023
Energy at 298.15K
HF Energy	-81.849346
Nuclear repulsion energy	32.206082

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	3615	3430	23.44	101.96	0.12	0.22
2	A₁	2642	2507	92.36	91.29	0.12	0.22
3	A₁	1690	1604	74.75	5.19	0.75	0.86
4	A₁	1381	1310	52.80	6.84	0.05	0.09
5	A₁	1177	1117	0.11	15.37	0.54	0.70
6	A₂	875	830	0.00	0.66	0.75	0.86
7	B₁	1024	972	37.08	1.24	0.75	0.86
8	B₁	599	569	236.32	0.01	0.75	0.86
9	B₂	3711	3520	21.07	61.50	0.75	0.86
10	B₂	2723	2583	170.25	36.10	0.75	0.86
11	B₂	1150	1091	40.65	1.74	0.75	0.86
12	B₂	747	709	0.06	0.01	0.75	0.86

Atom	y (Å)	z (Å)
B1	0.000	-0.780
N2	0.000	0.612
H3	1.045	-1.359
H4	-1.045	-1.359
H5	0.844	1.166
H6	-0.844	1.166

	B1	N2	H3	H4	H5	H6
B1		1.3924	1.1946	1.1946	2.1212	2.1212
N2	1.3924		2.2310	2.2310	1.0095	1.0095
H3	1.1946	2.2310		2.0900	2.5327	3.1533
H4	1.1946	2.2310	2.0900		3.1533	2.5327
H5	2.1212	1.0095	2.5327	3.1533		1.6883
H6	2.1212	1.0095	3.1533	2.5327	1.6883

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	N2	H5	123.260	B1	N2	H6	123.260
N2	B1	H3	118.978	N2	B1	H4	118.978
H3	B1	H4	122.044	H5	N2	H6	113.481

All results from a given calculation for BH₂NH₂ (Boranamine)

using model chemistry: B2PLYP=FULLultrafine/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	0.120
2	N	-0.702
3	H	-0.047
4	H	-0.047
5	H	0.338
6	H	0.338

	x	y	z	Total
	0.000	0.000	2.115	2.115
CHELPG
AIM
ESP

<r²>	24.066
(<r²>)^1/2	4.906

All results from a given calculation for BH2NH2 (Boranamine)

using model chemistry: B2PLYP=FULLultrafine/6-31G*

States and conformations

All results from a given calculation for BH₂NH₂ (Boranamine)