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	hartrees
Energy at 0K	-80.971521
Energy at 298.15K	-80.975778
HF Energy	-80.971521
Nuclear repulsion energy	32.238226

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	3719	3292	25.11	63.66	0.12	0.22
2	A₁	2991	2647	8.60	25.04	0.14	0.25
3	A₁	1806	1598	40.14	13.01	0.74	0.85
4	A₁	1527	1351	38.98	5.16	0.06	0.11
5	A₁	1288	1139	0.54	14.95	0.60	0.75
6	A₂	974	862	0.00	0.47	0.75	0.86
7	B₁	1096	970	62.75	0.23	0.75	0.86
8	B₁	679	601	183.92	0.42	0.75	0.86
9	B₂	3895	3447	4.52	37.42	0.75	0.86
10	B₂	3136	2776	17.99	20.57	0.75	0.86
11	B₂	1245	1102	31.83	3.36	0.75	0.86
12	B₂	814	721	0.78	0.02	0.75	0.86

Atom	y (Å)	z (Å)
B1	0.000	-0.778
N2	0.000	0.601
H3	1.024	-1.345
H4	-1.024	-1.345
H5	0.860	1.184
H6	-0.860	1.184

	B1	N2	H3	H4	H5	H6
B1		1.3791	1.1708	1.1708	2.1419	2.1419
N2	1.3791		2.1994	2.1994	1.0390	1.0390
H3	1.1708	2.1994		2.0482	2.5342	3.1539
H4	1.1708	2.1994	2.0482		3.1539	2.5342
H5	2.1419	1.0390	2.5342	3.1539		1.7209
H6	2.1419	1.0390	3.1539	2.5342	1.7209

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	N2	H5	124.095	B1	N2	H6	124.095
N2	B1	H3	118.988	N2	B1	H4	118.988
H3	B1	H4	122.024	H5	N2	H6	111.811

All results from a given calculation for BH₂NH₂ (Boranamine)

using model chemistry: B3PW91/STO-3G

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	0.144
2	N	-0.430
3	H	-0.062
4	H	-0.062
5	H	0.205
6	H	0.205

	x	y	z	Total
	0.000	0.000	2.273	2.273
CHELPG
AIM
ESP

<r²>	23.214
(<r²>)^1/2	4.818

All results from a given calculation for BH2NH2 (Boranamine)

using model chemistry: B3PW91/STO-3G

States and conformations

All results from a given calculation for BH₂NH₂ (Boranamine)