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	hartrees
Energy at 0K	-328.148104
Energy at 298.15K	-328.151265
HF Energy	-328.148104
Nuclear repulsion energy	50.378692

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3086	3069	0.62
2	A₁	2170	2158	31.65
3	A₁	1418	1410	4.35
4	A₁	946	941	13.30
5	A₁	879	874	39.31
6	A₂	729	725	0.00
7	B₁	791	787	58.30
8	B₁	371	369	11.85
9	B₂	3176	3158	1.31
10	B₂	2201	2189	109.54
11	B₂	854	850	67.83
12	B₂	473	471	9.21

Atom	y (Å)	z (Å)
C1	0.000	-1.184
Si2	0.000	0.565
H3	0.926	-1.764
H4	-0.926	-1.764
H5	1.267	1.361
H6	-1.267	1.361

	C1	Si2	H3	H4	H5	H6
C1		1.7492	1.0925	1.0925	2.8435	2.8435
Si2	1.7492		2.5061	2.5061	1.4966	1.4966
H3	1.0925	2.5061		1.8523	3.1436	3.8179
H4	1.0925	2.5061	1.8523		3.8179	3.1436
H5	2.8435	1.4966	3.1436	3.8179		2.5342
H6	2.8435	1.4966	3.8179	3.1436	2.5342

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	Si2	H5	122.149	C1	Si2	H6	122.149
Si2	C1	H3	122.033	Si2	C1	H4	122.033
H3	C1	H4	115.933	H5	Si2	H6	115.702

All results from a given calculation for CH₂SiH₂ (silaethylene)

using model chemistry: BLYP/3-21G

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	-0.733
2	Si	0.509
3	H	0.196
4	H	0.196
5	H	-0.085
6	H	-0.085

	x	y	z	Total
	0.000	0.000	0.123	0.123
CHELPG
AIM
ESP

<r²>	41.070
(<r²>)^1/2	6.409

All results from a given calculation for CH2SiH2 (silaethylene)

using model chemistry: BLYP/3-21G

States and conformations

All results from a given calculation for CH₂SiH₂ (silaethylene)