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	hartrees
Energy at 0K	-329.037258
Energy at 298.15K	-329.040718
HF Energy	-329.037258
Nuclear repulsion energy	51.725826

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3335	2996	4.90
2	A₁	2432	2185	63.36
3	A₁	1557	1399	5.88
4	A₁	1073	964	27.97
5	A₁	1015	912	35.22
6	A₂	787	707	0.00
7	B₁	907	815	47.85
8	B₁	549	493	40.63
9	B₂	3418	3071	1.36
10	B₂	2441	2193	173.28
11	B₂	910	817	102.12
12	B₂	518	466	10.25

Atom	y (Å)	z (Å)
C1	0.000	-1.147
Si2	0.000	0.546
H3	0.907	-1.725
H4	-0.907	-1.725
H5	1.232	1.343
H6	-1.232	1.343

	C1	Si2	H3	H4	H5	H6
C1		1.6935	1.0759	1.0759	2.7782	2.7782
Si2	1.6935		2.4460	2.4460	1.4671	1.4671
H3	1.0759	2.4460		1.8149	3.0852	3.7403
H4	1.0759	2.4460	1.8149		3.7403	3.0852
H5	2.7782	1.4671	3.0852	3.7403		2.4639
H6	2.7782	1.4671	3.7403	3.0852	2.4639

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	Si2	H5	122.887	C1	Si2	H6	122.887
Si2	C1	H3	122.495	Si2	C1	H4	122.495
H3	C1	H4	115.011	H5	Si2	H6	114.226

All results from a given calculation for CH₂SiH₂ (silaethylene)

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	C	-0.650
2	Si	0.464
3	H	0.196
4	H	0.196
5	H	-0.104
6	H	-0.104

	x	y	z	Total
	0.000	0.000	0.698	0.698
CHELPG
AIM
ESP

<r²>	39.623
(<r²>)^1/2	6.295

All results from a given calculation for CH2SiH2 (silaethylene)

using model chemistry: HF/6-31G*

States and conformations

All results from a given calculation for CH₂SiH₂ (silaethylene)