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Geometry for CH3PHCH3 (dimethylphosphine) 1A' CS

1910171554
InChI=1S/C2H7P/c1-3-2/h3H,1-2H3 INChIKey=YOTZYFSGUCFUKA-UHFFFAOYSA-N

B2PLYP=FULLultrafine/6-31+G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
P1 -0.0378 -0.6669 0.0000   0.0000 -0.6637 -0.0753
H2 1.3529 -0.9426 0.0000   0.0000 -1.0174 1.2976
C3 -0.0378 0.5294 1.4263   1.4263 0.5307 -0.0079
C4 -0.0378 0.5294 -1.4263   -1.4263 0.5307 -0.0079
H5 -1.0272 0.9826 1.5111   1.5111 1.0390 -0.9702
H6 -1.0272 0.9826 -1.5111   -1.5111 1.0390 -0.9702
H7 0.1577 -0.0102 2.3545   2.3545 -0.0191 0.1569
H8 0.1577 -0.0102 -2.3545   -2.3545 -0.0191 0.1569
H9 0.7031 1.3240 1.3185   1.3185 1.2823 0.7766
H10 0.7031 1.3240 -1.3185   -1.3185 1.2823 0.7766
Atom - Atom Distances (Å)
  P1 H2 C3 C4 H5 H6 H7 H8 H9 H10
P1 1.4177 1.8616 1.8616 2.4461 2.4461 2.4522 2.4522 2.5002 2.5002
H2 1.4177 2.4769 2.4769 3.4139 3.4139 2.8003 2.8003 2.7015 2.7015
C3 1.8616 2.4769 2.8526 1.0916 3.1326 1.0913 3.8242 1.0917 2.9520
C4 1.8616 2.4769 2.8526 3.1326 1.0916 3.8242 1.0913 2.9520 1.0917
H5 2.4461 3.4139 1.0916 3.1326 3.0223 1.7610 4.1633 1.7741 3.3342
H6 2.4461 3.4139 3.1326 1.0916 3.0223 4.1633 1.7610 3.3342 1.7741
H7 2.4522 2.8003 1.0913 3.8242 1.7610 4.1633 4.7090 1.7751 3.9457
H8 2.4522 2.8003 3.8242 1.0913 4.1633 1.7610 4.7090 3.9457 1.7751
H9 2.5002 2.7015 1.0917 2.9520 1.7741 3.3342 1.7751 3.9457 2.6369
H10 2.5002 2.7015 2.9520 1.0917 3.3342 1.7741 3.9457 1.7751 2.6369
Maximum atom distance is 4.7090Å between atoms H7 and H8.
picture of dimethylphosphine
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C3 P1 C4 100.024
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
P1 C3 H5 109.046 P1 C3 H7 109.504
P1 C3 H9 113.081 P1 C4 H6 109.046
P1 C4 H8 109.504 P1 C4 H10 113.081
H2 P1 C3 97.179 H2 P1 C4 97.179
H5 C3 H7 107.551 H5 C3 H9 108.700
H6 C4 H8 107.551 H6 C4 H10 108.700
H7 C3 H9 108.808 H8 C4 H10 108.808

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