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	hartrees
Energy at 0K	-82.005825
Energy at 298.15K	-82.010046
HF Energy	-82.005825
Nuclear repulsion energy	31.947814

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	3487	3469	12.50	125.50	0.10	0.18
2	A₁	2540	2527	99.53	126.18	0.13	0.24
3	A₁	1606	1598	71.15	4.69	0.50	0.66
4	A₁	1312	1305	58.76	15.27	0.04	0.08
5	A₁	1128	1122	0.53	14.11	0.43	0.60
6	A₂	836	832	0.00	3.89	0.75	0.86
7	B₁	979	974	22.40	0.64	0.75	0.86
8	B₁	602	599	214.72	0.76	0.75	0.86
9	B₂	3583	3564	19.41	60.31	0.75	0.86
10	B₂	2615	2601	188.51	51.83	0.75	0.86
11	B₂	1104	1098	43.45	1.03	0.75	0.86
12	B₂	725	721	0.01	0.04	0.75	0.86

Atom	y (Å)	z (Å)
B1	0.000	-0.788
N2	0.000	0.617
H3	1.053	-1.366
H4	-1.053	-1.366
H5	0.850	1.177
H6	-0.850	1.177

	B1	N2	H3	H4	H5	H6
B1		1.4044	1.2016	1.2016	2.1412	2.1412
N2	1.4044		2.2454	2.2454	1.0183	1.0183
H3	1.2016	2.2454		2.1062	2.5520	3.1770
H4	1.2016	2.2454	2.1062		3.1770	2.5520
H5	2.1412	1.0183	2.5520	3.1770		1.7000
H6	2.1412	1.0183	3.1770	2.5520	1.7000

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	N2	H5	123.414	B1	N2	H6	123.414
N2	B1	H3	118.789	N2	B1	H4	118.789
H3	B1	H4	122.421	H5	N2	H6	113.172

All results from a given calculation for BH₂NH₂ (Boranamine)

using model chemistry: BLYP/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	0.206
2	N	-0.699
3	H	-0.048
4	H	-0.048
5	H	0.295
6	H	0.295

	x	y	z	Total
	0.000	0.000	1.977	1.977
CHELPG
AIM
ESP

<r²>	24.750
(<r²>)^1/2	4.975

All results from a given calculation for BH2NH2 (Boranamine)

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

States and conformations

All results from a given calculation for BH₂NH₂ (Boranamine)