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	hartrees
Energy at 0K	-82.071689
Energy at 298.15K	-82.075964
HF Energy	-82.071689
Nuclear repulsion energy	32.277109

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	3586	3467	17.94	118.64	0.13	0.22
2	A₁	2570	2485	96.66	125.15	0.11	0.20
3	A₁	1651	1596	72.97	4.72	0.72	0.84
4	A₁	1360	1315	51.37	5.67	0.02	0.05
5	A₁	1157	1118	0.04	13.95	0.50	0.67
6	A₂	869	840	0.00	2.07	0.75	0.86
7	B₁	1015	982	30.60	1.70	0.75	0.86
8	B₁	619	599	202.97	0.00	0.75	0.86
9	B₂	3678	3556	21.21	68.00	0.75	0.86
10	B₂	2644	2556	171.49	48.55	0.75	0.86
11	B₂	1141	1103	37.03	0.78	0.75	0.86
12	B₂	751	726	0.14	0.00	0.75	0.86

Atom	y (Å)	z (Å)
B1	0.000	-0.777
N2	0.000	0.611
H3	1.043	-1.357
H4	-1.043	-1.357
H5	0.844	1.163
H6	-0.844	1.163

	B1	N2	H3	H4	H5	H6
B1		1.3880	1.1928	1.1928	2.1158	2.1158
N2	1.3880		2.2267	2.2267	1.0085	1.0085
H3	1.1928	2.2267		2.0851	2.5278	3.1477
H4	1.1928	2.2267	2.0851		3.1477	2.5278
H5	2.1158	1.0085	2.5278	3.1477		1.6875
H6	2.1158	1.0085	3.1477	2.5278	1.6875

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	N2	H5	123.211	B1	N2	H6	123.211
N2	B1	H3	119.074	N2	B1	H4	119.074
H3	B1	H4	121.852	H5	N2	H6	113.578

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	0.115
2	N	-0.406
3	H	-0.066
4	H	-0.066
5	H	0.212
6	H	0.212

	x	y	z	Total
	0.000	0.000	2.093	2.093
CHELPG
AIM
ESP

<r²>	24.232
(<r²>)^1/2	4.923

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)