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	hartrees
Energy at 0K	-81.963301
Energy at 298.15K	-81.967570
HF Energy	-81.963301
Nuclear repulsion energy	32.308287

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	3621	3482	22.04	128.00	0.08	0.14
2	A₁	2574	2475	94.78	154.13	0.07	0.12
3	A₁	1644	1580	77.95	3.56	0.60	0.75
4	A₁	1363	1311	58.56	14.57	0.04	0.08
5	A₁	1151	1107	0.19	11.69	0.24	0.39
6	A₂	857	824	0.00	0.67	0.75	0.86
7	B₁	1007	968	24.30	0.12	0.75	0.86
8	B₁	622	598	174.31	0.14	0.75	0.86
9	B₂	3716	3573	30.52	50.67	0.75	0.86
10	B₂	2654	2551	157.89	45.02	0.75	0.86
11	B₂	1131	1088	33.57	0.18	0.75	0.86
12	B₂	739	711	0.25	0.00	0.75	0.86

Atom	y (Å)	z (Å)
B1	0.000	-0.776
N2	0.000	0.610
H3	1.046	-1.356
H4	-1.046	-1.356
H5	0.841	1.161
H6	-0.841	1.161

	B1	N2	H3	H4	H5	H6
B1		1.3865	1.1961	1.1961	2.1121	2.1121
N2	1.3865		2.2269	2.2269	1.0052	1.0052
H3	1.1961	2.2269		2.0929	2.5252	3.1457
H4	1.1961	2.2269	2.0929		3.1457	2.5252
H5	2.1121	1.0052	2.5252	3.1457		1.6814
H6	2.1121	1.0052	3.1457	2.5252	1.6814

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	N2	H5	123.243	B1	N2	H6	123.243
N2	B1	H3	118.967	N2	B1	H4	118.967
H3	B1	H4	122.065	H5	N2	H6	113.514

All results from a given calculation for BH₂NH₂ (Boranamine)

using model chemistry: PBE1PBE/aug-cc-pVTZ

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	-0.099
2	N	-0.104
3	H	-0.046
4	H	-0.046
5	H	0.148
6	H	0.148

	x	y	z	Total
	0.000	0.000	1.908	1.908
CHELPG
AIM
ESP

<r²>	24.232
(<r²>)^1/2	4.923

All results from a given calculation for BH2NH2 (Boranamine)

using model chemistry: PBE1PBE/aug-cc-pVTZ

States and conformations

All results from a given calculation for BH₂NH₂ (Boranamine)