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Geometry for (Cyclopentane) 1A C1

1910171554
InChI=1S/C5H10/c1-2-4-5-3-1/h1-5H2 INChIKey=RGSFGYAAUTVSQA-UHFFFAOYSA-N

HF/daug-cc-pVTZ


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.8634 -0.9064 0.2539   0.9232 -0.8459 0.2526
C2 -0.1286 1.2784 0.1261   -0.2154 1.2665 0.1279
C3 -1.2765 0.2454 0.0145   -1.2902 0.1579 0.0148
C4 -0.5954 -1.1316 -0.1538   -0.5169 -1.1694 -0.1555
C5 1.1472 0.5108 -0.2408   1.1097 0.5881 -0.2400
H6 -0.0533 1.6400 1.1455   -0.1648 1.6309 1.1479
H7 -0.2876 2.1445 -0.5036   -0.4331 2.1207 -0.5005
H8 -1.9260 0.4617 -0.8242   -1.9531 0.3306 -0.8236
H9 -1.8977 0.2676 0.9011   -1.9114 0.1364 0.9014
H10 -0.6341 -1.4399 -1.1931   -0.5346 -1.4781 -1.1952
H11 -1.0791 -1.9085 0.4247   -0.9466 -1.9782 0.4219
H12 1.5368 -1.6488 -0.1567   1.6456 -1.5401 -0.1591
H13 0.9599 -0.9425 1.3354   1.0220 -0.8769 1.3341
H14 1.2806 0.4989 -1.3187   1.2436 0.5869 -1.3179
H15 2.0397 0.9473 0.1905   1.9704 1.0838 0.1919
Atom - Atom Distances (Å)
  C1 C2 C3 C4 C5 H6 H7 H8 H9 H10 H11 H12 H13 H14 H15
C1 2.4029 2.4420 1.5313 1.5276 2.8495 3.3477 3.2886 3.0693 2.1496 2.1924 1.0832 1.0865 2.1499 2.1964
C2 2.4029 1.5483 2.4708 1.5335 1.0843 1.0826 2.1911 2.1799 3.0635 3.3390 3.3797 2.7532 2.1636 2.1944
C3 2.4420 1.5483 1.5455 2.4515 2.1726 2.2029 1.0826 1.0828 2.1705 2.2015 3.3959 2.8562 2.8949 3.3942
C4 1.5313 2.4708 1.5455 2.3962 3.1087 3.3091 2.1815 2.1833 1.0847 1.0827 2.1940 2.1616 2.7450 3.3740
C5 1.5276 1.5335 2.4515 2.3962 2.1536 2.1902 3.1285 3.2610 2.8080 3.3544 2.1961 2.1521 1.0862 1.0831
H6 2.8495 1.0843 2.1726 3.1087 2.1536 1.7404 2.9623 2.3119 3.9105 3.7635 3.8782 2.7806 3.0255 2.4026
H7 3.3477 1.0826 2.2029 3.3091 2.1902 1.7404 2.3704 2.8440 3.6666 4.2326 4.2235 3.8037 2.4149 2.7077
H8 3.2886 2.1911 1.0826 2.1815 3.1285 2.9623 2.3704 1.7364 2.3284 2.8098 4.1099 3.8684 3.2448 4.1222
H9 3.0693 2.1799 1.0828 2.1833 3.2610 2.3119 2.8440 1.7364 2.9829 2.3733 4.0728 3.1335 3.8836 4.0583
H10 2.1496 3.0635 2.1705 1.0847 2.8080 3.9105 3.6666 2.3284 2.9829 1.7421 2.4146 3.0301 2.7278 3.8422
H11 2.1924 3.3390 2.2015 1.0827 3.3544 3.7635 4.2326 2.8098 2.3733 1.7421 2.6924 2.4331 3.7952 4.2353
H12 1.0832 3.3797 3.3959 2.1940 2.1961 3.8782 4.2235 4.1099 4.0728 2.4146 2.6924 1.7488 2.4553 2.6671
H13 1.0865 2.7532 2.8562 2.1616 2.1521 2.7806 3.8037 3.8684 3.1335 3.0301 2.4331 1.7488 3.0373 2.4593
H14 2.1499 2.1636 2.8949 2.7450 1.0862 3.0255 2.4149 3.2448 3.8836 2.7278 3.7952 2.4553 3.0373 1.7478
H15 2.1964 2.1944 3.3942 3.3740 1.0831 2.4026 2.7077 4.1222 4.0583 3.8422 4.2353 2.6671 2.4593 1.7478
Maximum atom distance is 4.2353Å between atoms H11 and H15.
picture of Cyclopentane
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C4 C3 105.058 C1 C5 C2 103.437
C2 C3 C4 105.997 C3 C2 C5 105.400
C4 C1 C5 103.133
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C4 H10 109.324 C1 C4 H11 112.889
C1 C5 H14 109.512 C1 C5 H15 113.455
C2 C3 H8 111.554 C2 C3 H9 110.646
C2 C5 H14 110.188 C2 C5 H15 112.864
C3 C2 H6 109.987 C3 C2 H7 112.516
C3 C4 H10 109.986 C3 C4 H11 112.596
C4 C1 H12 112.987 C4 C1 H13 110.167
C4 C3 H8 110.985 C4 C3 H9 111.114
C5 C1 H12 113.428 C5 C1 H13 109.675
C5 C2 H6 109.515 C5 C2 H7 112.552
H6 C2 H7 106.878 H8 C3 H9 106.620
H10 C4 H11 106.981 H12 C1 H13 107.421
H14 C5 H15 107.357

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