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	hartrees
Energy at 0K	-81.989182
Energy at 298.15K	-81.993440
HF Energy	-81.989182
Nuclear repulsion energy	32.216706

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	3627	3435	26.79	107.33	0.12	0.22
2	A₁	2656	2515	96.52	93.15	0.11	0.20
3	A₁	1678	1589	88.93	5.53	0.75	0.86
4	A₁	1381	1307	56.80	6.52	0.04	0.09
5	A₁	1169	1107	0.11	13.25	0.57	0.73
6	A₂	867	821	0.00	0.68	0.75	0.86
7	B₁	1022	967	42.04	1.45	0.75	0.86
8	B₁	619	586	241.36	0.00	0.75	0.86
9	B₂	3721	3524	27.45	64.38	0.75	0.86
10	B₂	2739	2594	163.55	33.69	0.75	0.86
11	B₂	1136	1076	42.27	1.83	0.75	0.86
12	B₂	736	697	0.05	0.03	0.75	0.86

Atom	y (Å)	z (Å)
B1	0.000	-0.780
N2	0.000	0.612
H3	1.045	-1.358
H4	-1.045	-1.358
H5	0.845	1.165
H6	-0.845	1.165

	B1	N2	H3	H4	H5	H6
B1		1.3915	1.1943	1.1943	2.1205	2.1205
N2	1.3915		2.2296	2.2296	1.0098	1.0098
H3	1.1943	2.2296		2.0902	2.5310	3.1522
H4	1.1943	2.2296	2.0902		3.1522	2.5310
H5	2.1205	1.0098	2.5310	3.1522		1.6891
H6	2.1205	1.0098	3.1522	2.5310	1.6891

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	N2	H5	123.243	B1	N2	H6	123.243
N2	B1	H3	118.946	N2	B1	H4	118.946
H3	B1	H4	122.108	H5	N2	H6	113.514

All results from a given calculation for BH₂NH₂ (Boranamine)

using model chemistry: M06-2X/6-31G*

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	0.128
2	N	-0.746
3	H	-0.038
4	H	-0.038
5	H	0.346
6	H	0.346

	x	y	z	Total
	0.000	0.000	2.030	2.030
CHELPG
AIM
ESP

<r²>	24.014
(<r²>)^1/2	4.900

All results from a given calculation for BH2NH2 (Boranamine)

using model chemistry: M06-2X/6-31G*

States and conformations

All results from a given calculation for BH₂NH₂ (Boranamine)