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	hartrees
Energy at 0K	-82.056905
Energy at 298.15K	-82.061166
HF Energy	-82.056905
Nuclear repulsion energy	32.156098

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	3575	3575	18.28	133.87	0.08	0.15
2	A₁	2566	2566	97.42	156.80	0.07	0.13
3	A₁	1633	1633	75.41	3.86	0.59	0.74
4	A₁	1341	1341	59.44	14.42	0.04	0.07
5	A₁	1143	1143	0.24	13.74	0.24	0.39
6	A₂	851	851	0.00	0.69	0.75	0.86
7	B₁	1006	1006	23.20	0.12	0.75	0.86
8	B₁	618	618	174.60	0.10	0.75	0.86
9	B₂	3677	3677	25.49	54.83	0.75	0.86
10	B₂	2643	2643	164.73	49.37	0.75	0.86
11	B₂	1122	1122	33.47	0.17	0.75	0.86
12	B₂	732	732	0.47	0.00	0.75	0.86

Atom	y (Å)	z (Å)
B1	0.000	-0.780
N2	0.000	0.613
H3	1.050	-1.361
H4	-1.050	-1.361
H5	0.846	1.167
H6	-0.846	1.167

	B1	N2	H3	H4	H5	H6
B1		1.3931	1.2002	1.2002	2.1226	2.1226
N2	1.3931		2.2360	2.2360	1.0108	1.0108
H3	1.2002	2.2360		2.1006	2.5360	3.1597
H4	1.2002	2.2360	2.1006		3.1597	2.5360
H5	2.1226	1.0108	2.5360	3.1597		1.6914
H6	2.1226	1.0108	3.1597	2.5360	1.6914

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	N2	H5	123.214	B1	N2	H6	123.214
N2	B1	H3	118.944	N2	B1	H4	118.944
H3	B1	H4	122.112	H5	N2	H6	113.572

All results from a given calculation for BH₂NH₂ (Boranamine)

using model chemistry: B3LYPultrafine/daug-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	-0.994
2	N	-0.065
3	H	0.649
4	H	0.649
5	H	-0.120
6	H	-0.120

	x	y	z	Total
	0.000	0.000	1.882	1.882
CHELPG
AIM
ESP

<r²>	24.505
(<r²>)^1/2	4.950

All results from a given calculation for BH2NH2 (Boranamine)

using model chemistry: B3LYPultrafine/daug-cc-pVDZ

States and conformations

All results from a given calculation for BH₂NH₂ (Boranamine)