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	hartrees
Energy at 0K	-82.055411
Energy at 298.15K	-82.059671
HF Energy	-82.055411
Nuclear repulsion energy	32.157225

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	3597	3469	19.56	115.66	0.10	0.18
2	A₁	2594	2501	104.93	122.48	0.13	0.23
3	A₁	1649	1590	84.49	4.47	0.48	0.65
4	A₁	1351	1302	65.25	12.65	0.03	0.07
5	A₁	1156	1115	0.83	13.27	0.43	0.60
6	A₂	849	819	0.00	4.07	0.75	0.86
7	B₁	1011	975	30.72	0.89	0.75	0.86
8	B₁	623	601	229.42	0.73	0.75	0.86
9	B₂	3697	3565	27.69	55.04	0.75	0.86
10	B₂	2670	2574	192.27	48.67	0.75	0.86
11	B₂	1133	1092	46.31	1.04	0.75	0.86
12	B₂	743	717	0.01	0.06	0.75	0.86

Atom	y (Å)	z (Å)
B1	0.000	-0.782
N2	0.000	0.614
H3	1.047	-1.360
H4	-1.047	-1.360
H5	0.844	1.168
H6	-0.844	1.168

	B1	N2	H3	H4	H5	H6
B1		1.3955	1.1957	1.1957	2.1248	2.1248
N2	1.3955		2.2342	2.2342	1.0101	1.0101
H3	1.1957	2.2342		2.0930	2.5362	3.1571
H4	1.1957	2.2342	2.0930		3.1571	2.5362
H5	2.1248	1.0101	2.5362	3.1571		1.6889
H6	2.1248	1.0101	3.1571	2.5362	1.6889

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	N2	H5	123.280	B1	N2	H6	123.280
N2	B1	H3	118.928	N2	B1	H4	118.928
H3	B1	H4	122.143	H5	N2	H6	113.441

All results from a given calculation for BH₂NH₂ (Boranamine)

using model chemistry: B3LYP/6-31+G**

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	0.233
2	N	-0.734
3	H	-0.054
4	H	-0.054
5	H	0.304
6	H	0.304

	x	y	z	Total
	0.000	0.000	1.917	1.917
CHELPG
AIM
ESP

<r²>	24.446
(<r²>)^1/2	4.944

All results from a given calculation for BH2NH2 (Boranamine)

using model chemistry: B3LYP/6-31+G**

States and conformations

All results from a given calculation for BH₂NH₂ (Boranamine)