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Geometry for C4H6 (1-Methylcyclopropene) 1A C1

1910171554
InChI=1S/C4H6/c1-4-2-3-4/h2H,3H2,1H3 INChIKey=SHDPRTQPPWIEJG-UHFFFAOYSA-N

MP2/6-31+G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.1795 0.0000   0.1579 0.0852 0.0000
C2 -0.0656 -1.3287 0.0000   -1.1382 -0.6887 0.0000
C3 1.1539 -0.4331 0.0000   -0.9291 0.8098 0.0000
C4 -0.8226 1.4075 0.0000   1.6293 -0.0557 0.0000
H5 -0.3453 -1.8528 0.9118   -1.4666 -1.1836 0.9118
H6 -0.3453 -1.8528 -0.9118   -1.4666 -1.1836 -0.9118
H7 2.2287 -0.4020 0.0000   -1.4120 1.7705 0.0000
H8 -0.1958 2.2984 0.0000   2.1157 0.9190 0.0000
H9 -1.4679 1.4292 -0.8795   1.9548 -0.6133 -0.8795
H10 -1.4679 1.4292 0.8795   1.9548 -0.6133 0.8795
Atom - Atom Distances (Å)
  C1 C2 C3 C4 H5 H6 H7 H8 H9 H10
C1 1.5096 1.3064 1.4781 2.2540 2.2540 2.3033 2.1280 2.1190 2.1190
C2 1.5096 1.5130 2.8390 1.0882 1.0882 2.4744 3.6294 3.2165 3.2165
C3 1.3064 1.5130 2.7008 2.2570 2.2570 1.0752 3.0468 3.3340 3.3340
C4 1.4781 2.8390 2.7008 3.4188 3.4188 3.5475 1.0893 1.0910 1.0910
H5 2.2540 1.0882 2.2570 3.4188 1.8236 3.0922 4.2527 3.9039 3.4688
H6 2.2540 1.0882 2.2570 3.4188 1.8236 3.0922 4.2527 3.4688 3.9039
H7 2.3033 2.4744 1.0752 3.5475 3.0922 3.0922 3.6290 4.2180 4.2180
H8 2.1280 3.6294 3.0468 1.0893 4.2527 4.2527 3.6290 1.7740 1.7740
H9 2.1190 3.2165 3.3340 1.0910 3.9039 3.4688 4.2180 1.7740 1.7590
H10 2.1190 3.2165 3.3340 1.0910 3.4688 3.9039 4.2180 1.7740 1.7590
Maximum atom distance is 4.2527Å between atoms H5 and H8.
picture of 1-Methylcyclopropene
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 C3 C6 24.815 C2 C3 C10 72.351
C2 C6 C3 35.700 C3 C2 C6 119.485
C6 C3 C10 86.306
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H1 C2 C3 51.216 H1 C2 C6 119.491
C2 C6 H4 49.699 C2 C6 H5 33.084
C3 C6 H4 52.063 C3 C6 H5 66.173
C3 C10 H7 9.364 C3 C10 H8 65.103
C3 C10 H9 74.704 H4 C6 H5 74.533
H7 C10 H8 58.728 H7 C10 H9 77.965
H8 C10 H9 60.280

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