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	hartrees
Energy at 0K	-82.006970
Energy at 298.15K	-82.011192
HF Energy	-82.006970
Nuclear repulsion energy	32.096267

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	3522	3522	7.19	121.70	0.14	0.24
2	A₁	2501	2501	100.58	121.95	0.12	0.22
3	A₁	1660	1660	65.54	4.93	0.71	0.83
4	A₁	1322	1322	49.56	5.98	0.02	0.04
5	A₁	1123	1123	0.01	14.26	0.53	0.69
6	A₂	859	859	0.00	2.01	0.75	0.86
7	B₁	975	975	26.46	1.73	0.75	0.86
8	B₁	581	581	226.54	0.00	0.75	0.86
9	B₂	3616	3616	9.40	73.00	0.75	0.86
10	B₂	2576	2576	186.31	49.96	0.75	0.86
11	B₂	1124	1124	40.49	0.90	0.75	0.86
12	B₂	736	736	0.09	0.00	0.75	0.86

Atom	y (Å)	z (Å)
B1	0.000	-0.782
N2	0.000	0.614
H3	1.055	-1.363
H4	-1.055	-1.363
H5	0.846	1.169
H6	-0.846	1.169

	B1	N2	H3	H4	H5	H6
B1		1.3963	1.2038	1.2038	2.1264	2.1264
N2	1.3963		2.2405	2.2405	1.0113	1.0113
H3	1.2038	2.2405		2.1092	2.5401	3.1653
H4	1.2038	2.2405	2.1092		3.1653	2.5401
H5	2.1264	1.0113	2.5401	3.1653		1.6911
H6	2.1264	1.0113	3.1653	2.5401	1.6911

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	N2	H5	123.267	B1	N2	H6	123.267
N2	B1	H3	118.829	N2	B1	H4	118.829
H3	B1	H4	122.341	H5	N2	H6	113.467

All results from a given calculation for BH₂NH₂ (Boranamine)

using model chemistry: B97D3/6-311G*

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	0.055
2	N	-0.731
3	H	0.005
4	H	0.005
5	H	0.333
6	H	0.333

	x	y	z	Total
	0.000	0.000	2.177	2.177
CHELPG
AIM
ESP

<r²>	24.413
(<r²>)^1/2	4.941

All results from a given calculation for BH2NH2 (Boranamine)

using model chemistry: B97D3/6-311G*

States and conformations

All results from a given calculation for BH₂NH₂ (Boranamine)