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Geometry for HCOOC2H5 (Ethyl formate) 1A' CS trans

1910171554
InChI=1S/C3H6O2/c1-2-5-3-4/h3H,2H2,1H3 INChIKey=WBJINCZRORDGAQ-UHFFFAOYSA-N

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Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -2.1723 -0.2860 0.0000   2.1907 0.0392 0.0000
C2 -0.6909 -0.5690 0.0000   0.7507 0.4875 0.0000
O3 0.0000 0.6918 0.0000   -0.0780 -0.6874 0.0000
C4 1.3274 0.6332 0.0000   -1.3903 -0.4795 0.0000
O5 1.9864 -0.3649 0.0000   -1.9326 0.5865 0.0000
H6 -2.7223 -1.2271 0.0000   2.8433 0.9123 0.0000
H7 -2.4611 0.2805 0.8847   2.4138 -0.5562 0.8847
H8 -2.4611 0.2805 -0.8847   2.4138 -0.5562 -0.8847
H9 -0.3851 -1.1346 -0.8806   0.5105 1.0840 -0.8806
H10 -0.3851 -1.1346 0.8806   0.5105 1.0840 0.8806
H11 1.7385 1.6507 0.0000   -1.9135 -1.4442 0.0000
Atom - Atom Distances (Å)
  C1 C2 O3 C4 O5 H6 H7 H8 H9 H10 H11
C1 1.5082 2.3822 3.6184 4.1595 1.0900 1.0895 1.0895 2.1657 2.1657 4.3641
C2 1.5082 1.4377 2.3492 2.6851 2.1353 2.1536 2.1536 1.0904 1.0904 3.2908
O3 2.3822 1.4377 1.3287 2.2500 3.3306 2.6474 2.6474 2.0639 2.0639 1.9854
C4 3.6184 2.3492 1.3287 1.1960 4.4565 3.9064 3.9064 2.6140 2.6140 1.0974
O5 4.1595 2.6851 2.2500 1.1960 4.7870 4.5804 4.5804 2.6442 2.6442 2.0308
H6 1.0900 2.1353 3.3306 4.4565 4.7870 1.7674 1.7674 2.4993 2.4993 5.3085
H7 1.0895 2.1536 2.6474 3.9064 4.5804 1.7674 1.7693 3.0707 2.5125 4.5052
H8 1.0895 2.1536 2.6474 3.9064 4.5804 1.7674 1.7693 2.5125 3.0707 4.5052
H9 2.1657 1.0904 2.0639 2.6140 2.6442 2.4993 3.0707 2.5125 1.7612 3.6115
H10 2.1657 1.0904 2.0639 2.6140 2.6442 2.4993 2.5125 3.0707 1.7612 3.6115
H11 4.3641 3.2908 1.9854 1.0974 2.0308 5.3085 4.5052 4.5052 3.6115 3.6115
Maximum atom distance is 5.3085Å between atoms H6 and H11.
picture of Ethyl formate
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 O3 107.908 C2 O3 C4 116.196
O3 C4 O5 125.966
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H9 111.893 C1 C2 H10 111.893
C2 C1 H6 109.484 C2 C1 H7 110.973
C2 C1 H8 110.973 O3 C2 H9 108.669
O3 C2 H10 108.669 O3 C4 H11 109.471
O5 C4 H11 124.563 H6 C1 H7 108.375
H6 C1 H8 108.375 H7 C1 H8 108.584
H9 C2 H10 107.724

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