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	hartrees
Energy at 0K	-81.938688
Energy at 298.15K	-81.942952
HF Energy	-81.938688
Nuclear repulsion energy	32.205337

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	3642	3479	23.48	113.09	0.10	0.18
2	A₁	2596	2480	103.40	123.23	0.13	0.23
3	A₁	1651	1578	89.18	4.40	0.46	0.63
4	A₁	1360	1299	59.31	12.87	0.04	0.07
5	A₁	1154	1103	0.26	12.21	0.47	0.64
6	A₂	854	816	0.00	4.24	0.75	0.86
7	B₁	1004	959	28.69	1.05	0.75	0.86
8	B₁	631	603	234.58	0.67	0.75	0.86
9	B₂	3749	3581	34.97	52.84	0.75	0.86
10	B₂	2676	2556	183.56	47.71	0.75	0.86
11	B₂	1132	1081	46.10	1.03	0.75	0.86
12	B₂	741	708	0.04	0.07	0.75	0.86

Atom	y (Å)	z (Å)
B1	0.000	-0.779
N2	0.000	0.612
H3	1.049	-1.359
H4	-1.049	-1.359
H5	0.844	1.164
H6	-0.844	1.164

	B1	N2	H3	H4	H5	H6
B1		1.3919	1.1987	1.1987	2.1188	2.1188
N2	1.3919		2.2331	2.2331	1.0080	1.0080
H3	1.1987	2.2331		2.0989	2.5313	3.1541
H4	1.1987	2.2331	2.0989		3.1541	2.5313
H5	2.1188	1.0080	2.5313	3.1541		1.6872
H6	2.1188	1.0080	3.1541	2.5313	1.6872

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	N2	H5	123.184	B1	N2	H6	123.184
N2	B1	H3	118.898	N2	B1	H4	118.898
H3	B1	H4	122.204	H5	N2	H6	113.632

All results from a given calculation for BH₂NH₂ (Boranamine)

using model chemistry: PBE1PBE/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	0.183
2	N	-0.747
3	H	-0.038
4	H	-0.038
5	H	0.320
6	H	0.320

	x	y	z	Total
	0.000	0.000	1.949	1.949
CHELPG
AIM
ESP

<r²>	24.322
(<r²>)^1/2	4.932

All results from a given calculation for BH2NH2 (Boranamine)

using model chemistry: PBE1PBE/6-31+G**

States and conformations

All results from a given calculation for BH₂NH₂ (Boranamine)