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Geometry for CH3SeH (Methane selenol) 1A' CS

1910171554
InChI=1S/CH4Se/c1-2/h2H,1H3 INChIKey=APKHDKJWSHYLEU-UHFFFAOYSA-N

MP2=FULL/6-31+G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Se1 -0.0309 -0.4185 0.0000   -0.4179 -0.0373 0.0000
C2 -0.0309 1.5243 0.0000   1.5246 -0.0075 0.0000
H3 1.4096 -0.5645 0.0000   -0.5860 1.4008 0.0000
H4 -1.0748 1.8240 0.0000   1.8403 -1.0467 0.0000
H5 0.4508 1.9111 0.8914   1.9040 0.4800 0.8914
H6 0.4508 1.9111 -0.8914   1.9040 0.4800 -0.8914
Atom - Atom Distances (Å)
  Se1 C2 H3 H4 H5 H6
Se1 1.9428 1.4479 2.4736 2.5404 2.5404
C2 1.9428 2.5373 1.0860 1.0846 1.0846
H3 1.4479 2.5373 3.4463 2.8004 2.8004
H4 2.4736 1.0860 3.4463 1.7690 1.7690
H5 2.5404 1.0846 2.8004 1.7690 1.7829
H6 2.5404 1.0846 2.8004 1.7690 1.7829
Maximum atom distance is 3.4463Å between atoms H3 and H4.
picture of Methane selenol
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Se1 C2 H4 106.020 Se1 C2 H5 110.893
Se1 C2 H6 110.893 C2 Se1 H3 95.787
H4 C2 H5 109.176 H4 C2 H6 109.176
H5 C2 H6 110.555

For information on specific bond angles or dihedrals see the geometry comparison page in section Comparisons > Geometry > Bonds, angles.