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Geometry for C5H8 (Cyclobutane, methylene-) 1A' CS

1910171554
InChI=1S/C5H8/c1-5-3-2-4-5/h1-4H2 INChIKey=QIRVGKYPAOQVNP-UHFFFAOYSA-N

MP2/6-311G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.2498 -0.3874 1.0935   -0.4550 1.0935 0.0740
C2 0.2498 -0.3874 -1.0935   -0.4550 -1.0935 0.0740
C3 -0.1195 0.6070 0.0000   0.6041 0.0000 0.1333
C4 0.2498 -1.4954 0.0000   -1.4705 0.0000 -0.3692
C5 -0.6644 1.8259 0.0000   1.9393 0.0000 0.1215
H6 -0.4595 -0.4978 1.9189   -0.2724 1.9189 -0.6202
H7 -0.4595 -0.4978 -1.9189   -0.2724 -1.9189 -0.6202
H8 1.2469 -0.2054 1.5092   -0.6870 1.5092 1.0606
H9 1.2469 -0.2054 -1.5092   -0.6870 -1.5092 1.0606
H10 -0.8971 2.3436 0.9268   2.5068 0.9268 0.1153
H11 -0.8971 2.3436 -0.9268   2.5068 -0.9268 0.1153
H12 1.1004 -2.1806 0.0000   -2.4387 0.0000 0.1363
H13 -0.6747 -2.0773 0.0000   -1.6340 0.0000 -1.4493
Atom - Atom Distances (Å)
  C1 C2 C3 C4 C5 H6 H7 H8 H9 H10 H11 H12 H13
C1 2.1871 1.5235 1.5568 2.6326 1.0939 3.0968 1.0954 2.7931 2.9667 3.5854 2.2661 2.2151
C2 2.1871 1.5235 1.5568 2.6326 3.0968 1.0939 2.7931 1.0954 3.5854 2.9667 2.2661 2.2151
C3 1.5235 1.5235 2.1346 1.3352 2.2402 2.2402 2.1919 2.1919 2.1165 2.1165 3.0428 2.7411
C4 1.5568 1.5568 2.1346 3.4449 2.2761 2.2761 2.2217 2.2217 4.1124 4.1124 1.0922 1.0924
C5 2.6326 2.6326 1.3352 3.4449 3.0206 3.0206 3.1713 3.1713 1.0868 1.0868 4.3780 3.9033
H6 1.0939 3.0968 2.2402 2.2761 3.0206 3.8379 1.7791 3.8405 3.0412 4.0451 2.9912 2.4947
H7 3.0968 1.0939 2.2402 2.2761 3.0206 3.8379 3.8405 1.7791 4.0451 3.0412 2.9912 2.4947
H8 1.0954 2.7931 2.1919 2.2217 3.1713 1.7791 3.8405 3.0184 3.3813 4.1265 2.4901 3.0780
H9 2.7931 1.0954 2.1919 2.2217 3.1713 3.8405 1.7791 3.0184 4.1265 3.3813 2.4901 3.0780
H10 2.9667 3.5854 2.1165 4.1124 1.0868 3.0412 4.0451 3.3813 4.1265 1.8537 5.0316 4.5225
H11 3.5854 2.9667 2.1165 4.1124 1.0868 4.0451 3.0412 4.1265 3.3813 1.8537 5.0316 4.5225
H12 2.2661 2.2661 3.0428 1.0922 4.3780 2.9912 2.9912 2.4901 2.4901 5.0316 5.0316 1.7781
H13 2.2151 2.2151 2.7411 1.0924 3.9033 2.4947 2.4947 3.0780 3.0780 4.5225 4.5225 1.7781
Maximum atom distance is 5.0316Å between atoms H10 and H12.
picture of Cyclobutane, methylene-
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C3 C2 91.746 C1 C3 C5 134.011
C1 C4 C2 89.246 C2 C3 C5 134.011
C3 C1 C4 87.727 C3 C2 C4 87.727
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C4 H12 116.519 C1 C4 H13 112.281
C2 C4 H12 116.519 C2 C4 H13 112.281
C3 C1 H6 116.762 C3 C1 H8 112.618
C3 C2 H7 116.762 C3 C2 H9 112.618
C3 C5 H10 121.481 C3 C5 H11 121.481
C4 C1 H6 117.269 C4 C1 H8 112.629
C4 C2 H7 117.269 C4 C2 H9 112.629
H6 C1 H8 108.704 H7 C2 H9 108.704
H10 C5 H11 117.038 H12 C4 H13 108.959

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