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	hartrees
Energy at 0K	-81.948663
Energy at 298.15K	-81.952895
HF Energy	-81.948663
Nuclear repulsion energy	32.122170

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	3503	3479	13.93	133.25	0.10	0.18
2	A₁	2520	2502	81.33	136.79	0.09	0.17
3	A₁	1594	1583	60.24	4.80	0.73	0.85
4	A₁	1328	1319	39.40	10.49	0.06	0.12
5	A₁	1122	1114	0.06	11.53	0.45	0.62
6	A₂	849	843	0.00	1.25	0.75	0.86
7	B₁	969	962	17.20	0.09	0.75	0.86
8	B₁	605	601	165.30	0.00	0.75	0.86
9	B₂	3595	3570	20.08	66.50	0.75	0.86
10	B₂	2598	2580	145.70	45.40	0.75	0.86
11	B₂	1100	1093	30.35	0.57	0.75	0.86
12	B₂	721	716	0.05	0.03	0.75	0.86

Atom	y (Å)	z (Å)
B1	0.000	-0.781
N2	0.000	0.612
H3	1.053	-1.361
H4	-1.053	-1.361
H5	0.847	1.170
H6	-0.847	1.170

	B1	N2	H3	H4	H5	H6
B1		1.3928	1.2019	1.2019	2.1266	2.1266
N2	1.3928		2.2363	2.2363	1.0141	1.0141
H3	1.2019	2.2363		2.1050	2.5393	3.1644
H4	1.2019	2.2363	2.1050		3.1644	2.5393
H5	2.1266	1.0141	2.5393	3.1644		1.6938
H6	2.1266	1.0141	3.1644	2.5393	1.6938

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	N2	H5	123.374	B1	N2	H6	123.374
N2	B1	H3	118.869	N2	B1	H4	118.869
H3	B1	H4	122.261	H5	N2	H6	113.252

All results from a given calculation for BH₂NH₂ (Boranamine)

using model chemistry: PBEPBEultrafine/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	-0.101
2	N	-0.160
3	H	-0.021
4	H	-0.021
5	H	0.152
6	H	0.152

	x	y	z	Total
	0.000	0.000	2.127	2.127
CHELPG
AIM
ESP

<r²>	24.437
(<r²>)^1/2	4.943

All results from a given calculation for BH2NH2 (Boranamine)

using model chemistry: PBEPBEultrafine/cc-pVTZ

States and conformations

All results from a given calculation for BH₂NH₂ (Boranamine)