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	hartrees
Energy at 0K	-81.462765
Energy at 298.15K	-81.467194
HF Energy	-81.462765
Nuclear repulsion energy	32.330587

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	3826	3454	23.00	100.20	0.13	0.24
2	A₁	2688	2427	124.58	111.65	0.11	0.19
3	A₁	1837	1659	106.71	6.05	0.73	0.85
4	A₁	1431	1292	106.53	3.92	0.15	0.26
5	A₁	1227	1107	5.51	12.79	0.54	0.70
6	A₂	876	791	0.00	0.98	0.75	0.86
7	B₁	1118	1010	146.23	2.69	0.75	0.86
8	B₁	848	766	359.75	0.09	0.75	0.86
9	B₂	3930	3548	26.40	59.70	0.75	0.86
10	B₂	2757	2489	254.50	37.48	0.75	0.86
11	B₂	1261	1139	67.61	1.43	0.75	0.86
12	B₂	823	743	0.13	0.21	0.75	0.86

Atom	y (Å)	z (Å)
B1	0.000	-0.779
N2	0.000	0.616
H3	1.034	-1.366
H4	-1.034	-1.366
H5	0.834	1.157
H6	-0.834	1.157

	B1	N2	H3	H4	H5	H6
B1		1.3953	1.1891	1.1891	2.1078	2.1078
N2	1.3953		2.2361	2.2361	0.9939	0.9939
H3	1.1891	2.2361		2.0677	2.5312	3.1394
H4	1.1891	2.2361	2.0677		3.1394	2.5312
H5	2.1078	0.9939	2.5312	3.1394		1.6681
H6	2.1078	0.9939	3.1394	2.5312	1.6681

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	N2	H5	122.946	B1	N2	H6	122.946
N2	B1	H3	119.608	N2	B1	H4	119.608
H3	B1	H4	120.784	H5	N2	H6	114.109

All results from a given calculation for BH₂NH₂ (Boranamine)

using model chemistry: HF/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
	Home All data for one species Geometry Experimental Experimental Geometries Same bond/angle many molecules Internal Coordinates by type Bond angles Calculated Calculated geometry Rotational constant Moments of inertia Products of moments of inertia BSE Bond lengths Show me a calculated geometry Comparisons Bonds, angles Rotational Constants Products of moments of inertia Point group Bad Calculations Bad moment of inertia Tutorials and Explanations Angle formulas Vibrations Experimental Vibrational frequencies Calculated Frequencies Scale factors Reactions Entropies Ions List Ions Energy Calculated Ionization Energy Compare Ionzation energy Electron Affinity Calculated Electron affinity Compare Electron affinity Proton Affinity Calculated Proton affinity Compare Proton affinity Ionization changes point group Experimental One molecule all properties One property a few molecules Enthalpy of formation Entropy Integrated Heat Capacity Heat Capacity Rotational Constants Vibrational Frequencies Dipole moment Ionization Energy Polarizability Quadrupole Point Groups Geometry Experimental Geometries Internal Coordinates by type Bond angles Rotational Constants Point Groups Diatomic bond lengths Vibrations Vibrational frequencies Diatomic Triatomics Energy Atomization Energy Internal Rotation Electrostatics Dipole Quadrupole Polarizability Reference Data Reference states Spin Splittings Molecules with good enthalpy Enthalpy at 0 Kelvin Calculated Energy Optimized Energy Energy 298K Minimum conformation Hydrogen bonds H bond with counterpoise Reaction Reaction Energy 0K Reaction Energy 298K Internal Rotation Barriers to internal rotation Rotational barrier and dipole Rotational Barrier 2 molecules Orbital HOMO LUMO gap HOMO Orbital Energies Nuclear repulsion energy Correlation Full vs Frozen core energies Partial correlation energies Ion Calculated Ionization Energy Vertical ionization Energy Calculated Electron affinity Calculated Proton affinity Atom charge differences Excited State Singlet triplet gap Electronic state Transition state Basis Set Extrapolation BSE energy BSE Bond lengths Geometry Calculated geometry AIM bond orders One type of bond Rotation Rotational constant Products of moments of inertia Moments of inertia Inertial defects Second moments Point group State symmetry <r2> Sorted by r2 Z-matrix Bad Calculations Bad moment of inertia Bad Calculated Bond Lengths Bad point group Worst molecules Vibrations Frequencies Animated vibrations Anharmonic Zero point energy (ZPE) Scale Factors Scale factors Scale factor uncertainty Calculate a scale factor Why scale vibrations Set scaling factors Bad Calculations Bad Vib. 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Number	Element	Mulliken
1	B	0.460
2	N	-0.957
3	H	-0.104
4	H	-0.104
5	H	0.353
6	H	0.353

	x	y	z	Total
	0.000	0.000	1.758	1.758
CHELPG
AIM
ESP

<r²>	24.154
(<r²>)^1/2	4.915

All results from a given calculation for BH2NH2 (Boranamine)

using model chemistry: HF/6-31G

States and conformations

All results from a given calculation for BH₂NH₂ (Boranamine)