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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

CID/6-31G*


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
P1 0.0000 0.0000 0.5963   0.0000 0.0000 0.5963
C2 0.0000 1.6308 -0.2753   1.0574 1.2415 -0.2753
C3 1.4123 -0.8154 -0.2753   0.5465 -1.5365 -0.2753
C4 -1.4123 -0.8154 -0.2753   -1.6039 0.2950 -0.2753
H5 0.0000 1.5234 -1.3614   0.9877 1.1597 -1.3614
H6 -0.8793 2.2049 0.0159   0.7602 2.2487 0.0159
H7 0.8793 2.2049 0.0159   2.0991 1.1084 0.0159
H8 1.3193 -0.7617 -1.3614   0.5105 -1.4353 -1.3614
H9 2.3492 -0.3409 0.0159   1.5674 -1.7827 0.0159
H10 1.4698 -1.8640 0.0159   -0.0896 -2.3721 0.0159
H11 -1.3193 -0.7617 -1.3614   -1.4982 0.2755 -1.3614
H12 -1.4698 -1.8640 0.0159   -2.3276 -0.4660 0.0159
H13 -2.3492 -0.3409 0.0159   -2.0094 1.2637 0.0159
Atom - Atom Distances (Å)
  P1 C2 C3 C4 H5 H6 H7 H8 H9 H10 H11 H12 H13
P1 1.8491 1.8491 1.8491 2.4805 2.4437 2.4437 2.4805 2.4437 2.4437 2.4805 2.4437 2.4437
C2 1.8491 2.8246 2.8246 1.0913 1.0898 1.0898 2.9400 3.0807 3.8024 2.9400 3.8024 3.0807
C3 1.8491 2.8246 2.8246 2.9400 3.8024 3.0807 1.0913 1.0898 1.0898 2.9400 3.0807 3.8024
C4 1.8491 2.8246 2.8246 2.9400 3.0807 3.8024 2.9400 3.8024 3.0807 1.0913 1.0898 1.0898
H5 2.4805 1.0913 2.9400 2.9400 1.7705 1.7705 2.6385 3.3001 3.9410 2.6385 3.9410 3.3001
H6 2.4437 1.0898 3.8024 3.0807 1.7705 1.7587 3.9410 4.1115 4.6983 3.3001 4.1115 2.9396
H7 2.4437 1.0898 3.0807 3.8024 1.7705 1.7587 3.3001 2.9396 4.1115 3.9410 4.6983 4.1115
H8 2.4805 2.9400 1.0913 2.9400 2.6385 3.9410 3.3001 1.7705 1.7705 2.6385 3.3001 3.9410
H9 2.4437 3.0807 1.0898 3.8024 3.3001 4.1115 2.9396 1.7705 1.7587 3.9410 4.1115 4.6983
H10 2.4437 3.8024 1.0898 3.0807 3.9410 4.6983 4.1115 1.7705 1.7587 3.3001 2.9396 4.1115
H11 2.4805 2.9400 2.9400 1.0913 2.6385 3.3001 3.9410 2.6385 3.9410 3.3001 1.7705 1.7705
H12 2.4437 3.8024 3.0807 1.0898 3.9410 4.1115 4.6983 3.3001 4.1115 2.9396 1.7705 1.7587
H13 2.4437 3.0807 3.8024 1.0898 3.3001 2.9396 4.1115 3.9410 4.6983 4.1115 1.7705 1.7587
Maximum atom distance is 4.6983Å 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 99.596 C2 P1 C4 99.596
C3 P1 C4 99.596
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
P1 C2 H5 112.475 P1 C2 H6 109.793
P1 C2 H7 109.793 P1 C3 H8 112.475
P1 C3 H9 109.793 P1 C3 H10 109.793
P1 C4 H11 112.475 P1 C4 H12 109.793
P1 C4 H13 109.793 H5 C2 H6 108.530
H5 C2 H7 108.530 H6 C2 H7 107.586
H8 C3 H9 108.530 H8 C3 H10 108.530
H9 C3 H10 107.586 H11 C4 H12 108.530
H11 C4 H13 108.530 H12 C4 H13 107.586

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