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	hartrees
Energy at 0K	-81.916591
Energy at 298.15K	-81.920801
HF Energy	-81.916591
Nuclear repulsion energy	31.970349

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	3496	3475	14.02	130.56	0.11	0.20
2	A₁	2519	2505	86.73	129.73	0.10	0.19
3	A₁	1568	1559	50.64	7.05	0.75	0.85
4	A₁	1322	1314	29.91	9.92	0.09	0.17
5	A₁	1111	1105	0.27	12.73	0.56	0.72
6	A₂	852	847	0.00	1.29	0.75	0.86
7	B₁	960	954	12.66	0.92	0.75	0.86
8	B₁	583	580	153.10	0.14	0.75	0.86
9	B₂	3593	3572	19.68	78.99	0.75	0.86
10	B₂	2601	2586	152.69	45.93	0.75	0.86
11	B₂	1090	1083	26.64	1.16	0.75	0.86
12	B₂	719	715	0.00	0.00	0.75	0.86

Atom	y (Å)	z (Å)
B1	0.000	-0.782
N2	0.000	0.613
H3	1.065	-1.367
H4	-1.065	-1.367
H5	0.852	1.176
H6	-0.852	1.176

	B1	N2	H3	H4	H5	H6
B1		1.3947	1.2157	1.2157	2.1345	2.1345
N2	1.3947		2.2487	2.2487	1.0208	1.0208
H3	1.2157	2.2487		2.1306	2.5518	3.1846
H4	1.2157	2.2487	2.1306		3.1846	2.5518
H5	2.1345	1.0208	2.5518	3.1846		1.7036
H6	2.1345	1.0208	3.1846	2.5518	1.7036

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	N2	H5	123.439	B1	N2	H6	123.439
N2	B1	H3	118.803	N2	B1	H4	118.803
H3	B1	H4	122.393	H5	N2	H6	113.122

All results from a given calculation for BH₂NH₂ (Boranamine)

using model chemistry: PBEPBEultrafine/cc-pVDZ

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	-0.167
2	N	0.060
3	H	-0.038
4	H	-0.038
5	H	0.091
6	H	0.091

	x	y	z	Total
	0.000	0.000	2.302	2.302
CHELPG
AIM
ESP

<r²>	24.421
(<r²>)^1/2	4.942

All results from a given calculation for BH2NH2 (Boranamine)

using model chemistry: PBEPBEultrafine/cc-pVDZ

States and conformations

All results from a given calculation for BH₂NH₂ (Boranamine)