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	hartrees
Energy at 0K	-15.130418
Energy at 298.15K	-15.134630
HF Energy	-15.130418
Nuclear repulsion energy	18.639068

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	3639	3639	21.55	114.98	0.13	0.23
2	A₁	2583	2583	110.51	93.92	0.16	0.27
3	A₁	1640	1640	87.66	5.56	0.73	0.84
4	A₁	1345	1345	64.13	12.46	0.01	0.03
5	A₁	1147	1147	1.29	13.42	0.74	0.85
6	A₂	846	846	0.00	0.08	0.75	0.86
7	B₁	1014	1014	15.79	0.16	0.75	0.86
8	B₁	580	580	248.70	0.35	0.75	0.86
9	B₂	3753	3753	25.74	57.84	0.75	0.86
10	B₂	2656	2656	204.44	40.37	0.75	0.86
11	B₂	1107	1107	44.15	2.81	0.75	0.86
12	B₂	723	723	1.69	1.04	0.75	0.86

Atom	y (Å)	z (Å)
B1	0.000	-0.787
N2	0.000	0.619
H3	1.056	-1.370
H4	-1.056	-1.370
H5	0.850	1.173
H6	-0.850	1.173

	B1	N2	H3	H4	H5	H6
B1		1.4060	1.2057	1.2057	2.1370	2.1370
N2	1.4060		2.2511	2.2511	1.0150	1.0150
H3	1.2057	2.2511		2.1117	2.5511	3.1777
H4	1.2057	2.2511	2.1117		3.1777	2.5511
H5	2.1370	1.0150	2.5511	3.1777		1.7000
H6	2.1370	1.0150	3.1777	2.5511	1.7000

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	N2	H5	123.126	B1	N2	H6	123.126
N2	B1	H3	118.870	N2	B1	H4	118.870
H3	B1	H4	122.261	H5	N2	H6	113.748

All results from a given calculation for BH₂NH₂ (Boranamine)

using model chemistry: wB97X-D/CEP-31G*

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	-0.439
2	N	-0.394
3	H	0.099
4	H	0.099
5	H	0.317
6	H	0.317

	x	y	z	Total
	0.000	0.000	2.094	2.094
CHELPG
AIM
ESP

<r²>	22.215
(<r²>)^1/2	4.713

All results from a given calculation for BH2NH2 (Boranamine)

using model chemistry: wB97X-D/CEP-31G*

States and conformations

All results from a given calculation for BH₂NH₂ (Boranamine)