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Geometry for C4H8 (cyclobutane) 1A1 D2D

1910171554
InChI=1S/C4H8/c1-2-4-3-1/h1-4H2 INChIKey=PMPVIKIVABFJJI-UHFFFAOYSA-N

QCISD/6-311G*


Point group is D2d
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 1.0806 0.1394   1.0806 0.0000 0.1394
C2 0.0000 -1.0806 0.1394   -1.0806 0.0000 0.1394
C3 -1.0806 0.0000 -0.1394   0.0000 -1.0806 -0.1394
C4 1.0806 0.0000 -0.1394   0.0000 1.0806 -0.1394
H5 0.0000 1.3797 1.1949   1.3797 0.0000 1.1949
H6 0.0000 1.9831 -0.4821   1.9831 0.0000 -0.4821
H7 0.0000 -1.3797 1.1949   -1.3797 0.0000 1.1949
H8 0.0000 -1.9831 -0.4821   -1.9831 0.0000 -0.4821
H9 -1.3797 0.0000 -1.1949   0.0000 -1.3797 -1.1949
H10 -1.9831 0.0000 0.4821   0.0000 -1.9831 0.4821
H11 1.3797 0.0000 -1.1949   0.0000 1.3797 -1.1949
H12 1.9831 0.0000 0.4821   0.0000 1.9831 0.4821
Atom - Atom Distances (Å)
  C1 C2 C3 C4 H5 H6 H7 H8 H9 H10 H11 H12
C1 2.1612 1.5534 1.5534 1.0971 1.0958 2.6772 3.1261 2.2027 2.2843 2.2027 2.2843
C2 2.1612 1.5534 1.5534 2.6772 3.1261 1.0971 1.0958 2.2027 2.2843 2.2027 2.2843
C3 1.5534 1.5534 2.1612 2.2027 2.2843 2.2027 2.2843 1.0971 1.0958 2.6772 3.1261
C4 1.5534 1.5534 2.1612 2.2027 2.2843 2.2027 2.2843 2.6772 3.1261 1.0971 1.0958
H5 1.0971 2.6772 2.2027 2.2027 1.7823 2.7595 3.7578 3.0852 2.5188 3.0852 2.5188
H6 1.0958 3.1261 2.2843 2.2843 1.7823 3.7578 3.9662 2.5188 2.9657 2.5188 2.9657
H7 2.6772 1.0971 2.2027 2.2027 2.7595 3.7578 1.7823 3.0852 2.5188 3.0852 2.5188
H8 3.1261 1.0958 2.2843 2.2843 3.7578 3.9662 1.7823 2.5188 2.9657 2.5188 2.9657
H9 2.2027 2.2027 1.0971 2.6772 3.0852 2.5188 3.0852 2.5188 1.7823 2.7595 3.7578
H10 2.2843 2.2843 1.0958 3.1261 2.5188 2.9657 2.5188 2.9657 1.7823 3.7578 3.9662
H11 2.2027 2.2027 2.6772 1.0971 3.0852 2.5188 3.0852 2.5188 2.7595 3.7578 1.7823
H12 2.2843 2.2843 3.1261 1.0958 2.5188 2.9657 2.5188 2.9657 3.7578 3.9662 1.7823
Maximum atom distance is 3.9662Å between atoms H6 and H8.
picture of cyclobutane
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C3 C2 88.154 C1 C4 C2 88.154
C3 C1 C4 88.154 C3 C2 C4 88.154
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C3 H9 111.243 C1 C3 H10 118.108
C1 C4 H11 111.243 C1 C4 H12 118.108
C2 C3 H9 111.243 C2 C3 H10 118.108
C2 C4 H11 111.243 C2 C4 H12 118.108
C3 C1 H5 111.243 C3 C1 H6 118.108
C3 C2 H7 111.243 C3 C2 H8 118.108
C4 C1 H5 111.243 C4 C1 H6 118.108
C4 C2 H7 111.243 C4 C2 H8 118.108
H5 C1 H6 108.731 H7 C2 H8 108.731
H9 C3 H10 108.731 H11 C4 H12 108.731

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