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	hartrees
Energy at 0K	-80.980087
Energy at 298.15K	-80.984353
HF Energy	-80.980087
Nuclear repulsion energy	32.249489

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	3746	3746	28.82	62.36	0.12	0.22
2	A₁	3009	3009	9.40	24.87	0.15	0.26
3	A₁	1815	1815	45.06	12.94	0.74	0.85
4	A₁	1538	1538	44.50	5.13	0.06	0.11
5	A₁	1295	1295	0.23	14.71	0.60	0.75
6	A₂	971	971	0.00	0.49	0.75	0.86
7	B₁	1110	1110	72.34	0.27	0.75	0.86
8	B₁	686	686	185.55	0.43	0.75	0.86
9	B₂	3923	3923	5.02	36.38	0.75	0.86
10	B₂	3155	3155	18.82	20.36	0.75	0.86
11	B₂	1253	1253	32.97	3.39	0.75	0.86
12	B₂	821	821	0.58	0.03	0.75	0.86

Atom	y (Å)	z (Å)
B1	0.000	-0.778
N2	0.000	0.602
H3	1.024	-1.345
H4	-1.024	-1.345
H5	0.860	1.182
H6	-0.860	1.182

	B1	N2	H3	H4	H5	H6
B1		1.3794	1.1703	1.1703	2.1401	2.1401
N2	1.3794		2.1994	2.1994	1.0376	1.0376
H3	1.1703	2.1994		2.0474	2.5320	3.1518
H4	1.1703	2.1994	2.0474		3.1518	2.5320
H5	2.1401	1.0376	2.5320	3.1518		1.7205
H6	2.1401	1.0376	3.1518	2.5320	1.7205

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	N2	H5	123.994	B1	N2	H6	123.994
N2	B1	H3	118.989	N2	B1	H4	118.989
H3	B1	H4	122.023	H5	N2	H6	112.012

All results from a given calculation for BH₂NH₂ (Boranamine)

using model chemistry: wB97X-D/STO-3G

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	0.159
2	N	-0.435
3	H	-0.065
4	H	-0.065
5	H	0.203
6	H	0.203

	x	y	z	Total
	0.000	0.000	2.213	2.213
CHELPG
AIM
ESP

<r²>	23.215
(<r²>)^1/2	4.818

All results from a given calculation for BH2NH2 (Boranamine)

using model chemistry: wB97X-D/STO-3G

States and conformations

All results from a given calculation for BH₂NH₂ (Boranamine)