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	hartrees
Energy at 0K	-82.082471
Energy at 298.15K	-82.086737
HF Energy	-82.082471
Nuclear repulsion energy	32.286406

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	3582	3582	19.12	130.50	0.08	0.15
2	A₁	2579	2579	96.64	153.52	0.07	0.13
3	A₁	1648	1648	74.00	3.63	0.64	0.78
4	A₁	1356	1356	65.42	13.37	0.04	0.07
5	A₁	1156	1156	0.69	13.79	0.22	0.36
6	A₂	853	853	0.00	0.68	0.75	0.86
7	B₁	1016	1016	26.35	0.11	0.75	0.86
8	B₁	624	624	173.69	0.15	0.75	0.86
9	B₂	3670	3670	25.97	53.16	0.75	0.86
10	B₂	2653	2653	164.91	47.07	0.75	0.86
11	B₂	1137	1137	33.83	0.15	0.75	0.86
12	B₂	747	747	0.34	0.00	0.75	0.86

Atom	y (Å)	z (Å)
B1	0.000	-0.778
N2	0.000	0.611
H3	1.042	-1.356
H4	-1.042	-1.356
H5	0.841	1.164
H6	-0.841	1.164

	B1	N2	H3	H4	H5	H6
B1		1.3895	1.1914	1.1914	2.1165	2.1165
N2	1.3895		2.2262	2.2262	1.0062	1.0062
H3	1.1914	2.2262		2.0836	2.5283	3.1457
H4	1.1914	2.2262	2.0836		3.1457	2.5283
H5	2.1165	1.0062	2.5283	3.1457		1.6813
H6	2.1165	1.0062	3.1457	2.5283	1.6813

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	N2	H5	123.333	B1	N2	H6	123.333
N2	B1	H3	119.020	N2	B1	H4	119.020
H3	B1	H4	121.960	H5	N2	H6	113.334

All results from a given calculation for BH₂NH₂ (Boranamine)

using model chemistry: B3LYPultrafine/daug-cc-pVTZ

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	-0.313
2	N	-0.135
3	H	-0.150
4	H	-0.150
5	H	0.374
6	H	0.374

	x	y	z	Total
	0.000	0.000	1.879	1.879
CHELPG
AIM
ESP

<r²>	24.340
(<r²>)^1/2	4.934

All results from a given calculation for BH2NH2 (Boranamine)

using model chemistry: B3LYPultrafine/daug-cc-pVTZ

States and conformations

All results from a given calculation for BH₂NH₂ (Boranamine)