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Geometry for P(CH3)3 (trimethylphosphine) 1A1 C3V

1910171554
InChI=1S/C3H9P/c1-4(2)3/h1-3H3 INChIKey=YWWDBCBWQNCYNR-UHFFFAOYSA-N

mPW1PW91/aug-cc-pVDZ


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
P1 0.0000 0.0000 0.6002   -0.0000 -0.0000 -0.6002
C2 0.0000 1.6355 -0.2783   0.0000 1.6355 0.2783
C3 1.4164 -0.8178 -0.2783   1.4164 -0.8178 0.2783
C4 -1.4164 -0.8178 -0.2783   -1.4164 -0.8178 0.2783
H5 0.0000 1.5251 -1.3720   0.0000 1.5251 1.3720
H6 -0.8856 2.2102 0.0202   -0.8856 2.2102 -0.0202
H7 0.8856 2.2102 0.0202   0.8856 2.2102 -0.0202
H8 1.3208 -0.7625 -1.3720   1.3208 -0.7625 1.3720
H9 2.3569 -0.3382 0.0202   2.3569 -0.3382 -0.0202
H10 1.4713 -1.8721 0.0202   1.4713 -1.8721 -0.0202
H11 -1.3208 -0.7625 -1.3720   -1.3208 -0.7625 1.3720
H12 -1.4713 -1.8721 0.0202   -1.4713 -1.8721 -0.0202
H13 -2.3569 -0.3382 0.0202   -2.3569 -0.3382 -0.0202
Atom - Atom Distances (Å)
  P1 C2 C3 C4 H5 H6 H7 H8 H9 H10 H11 H12 H13
P1 1.8565 1.8565 1.8565 2.4931 2.4507 2.4507 2.4931 2.4507 2.4507 2.4931 2.4507 2.4507
C2 1.8565 2.8328 2.8328 1.0993 1.0971 1.0971 2.9481 3.0886 3.8154 2.9481 3.8154 3.0886
C3 1.8565 2.8328 2.8328 2.9481 3.8154 3.0886 1.0993 1.0971 1.0971 2.9481 3.0886 3.8154
C4 1.8565 2.8328 2.8328 2.9481 3.0886 3.8154 2.9481 3.8154 3.0886 1.0993 1.0971 1.0971
H5 2.4931 1.0993 2.9481 2.9481 1.7865 1.7865 2.6415 3.3113 3.9552 2.6415 3.9552 3.3113
H6 2.4507 1.0971 3.8154 3.0886 1.7865 1.7712 3.9552 4.1241 4.7138 3.3113 4.1241 2.9426
H7 2.4507 1.0971 3.0886 3.8154 1.7865 1.7712 3.3113 2.9426 4.1241 3.9552 4.7138 4.1241
H8 2.4931 2.9481 1.0993 2.9481 2.6415 3.9552 3.3113 1.7865 1.7865 2.6415 3.3113 3.9552
H9 2.4507 3.0886 1.0971 3.8154 3.3113 4.1241 2.9426 1.7865 1.7712 3.9552 4.1241 4.7138
H10 2.4507 3.8154 1.0971 3.0886 3.9552 4.7138 4.1241 1.7865 1.7712 3.3113 2.9426 4.1241
H11 2.4931 2.9481 2.9481 1.0993 2.6415 3.3113 3.9552 2.6415 3.9552 3.3113 1.7865 1.7865
H12 2.4507 3.8154 3.0886 1.0971 3.9552 4.1241 4.7138 3.3113 4.1241 2.9426 1.7865 1.7712
H13 2.4507 3.0886 3.8154 1.0971 3.3113 2.9426 4.1241 3.9552 4.7138 4.1241 1.7865 1.7712
Maximum atom distance is 4.7138Å between atoms H9 and H13.
picture of trimethylphosphine
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 P1 C3 99.448 C2 P1 C4 99.448
C3 P1 C4 99.448
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
P1 C2 H5 112.474 P1 C2 H6 109.437
P1 C2 H7 109.437 P1 C3 H8 112.474
P1 C3 H9 109.437 P1 C3 H10 109.437
P1 C4 H11 112.474 P1 C4 H12 109.437
P1 C4 H13 109.437 H5 C2 H6 108.861
H5 C2 H7 108.861 H6 C2 H7 107.650
H8 C3 H9 108.861 H8 C3 H10 108.861
H9 C3 H10 107.650 H11 C4 H12 108.861
H11 C4 H13 108.861 H12 C4 H13 107.650

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