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Geometry for CH2FCH2CH3 (1-Fluoropropane) 1A C1 gauche

1910171554
InChI=1S/C3H7F/c1-2-3-4/h2-3H2,1H3 INChIKey=JRHNUZCXXOTJCA-UHFFFAOYSA-N

BLYP/aug-cc-pVDZ


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.7934 0.5283 0.3088   0.7534 0.5877 0.3016
C2 -0.6038 0.6455 -0.2964   -0.6413 0.5960 -0.3202
C3 -1.5649 -0.4867 0.1212   -1.5309 -0.5853 0.1195
F4 1.4446 -0.6583 -0.1713   1.4866 -0.5661 -0.1387
H5 1.4419 1.3764 0.0195   1.3482 1.4684 -0.0049
H6 0.7647 0.4395 1.4122   0.7178 0.5273 1.4067
H7 -0.5086 0.6844 -1.3988   -0.5361 0.6110 -1.4223
H8 -1.0103 1.6279 0.0213   -1.1150 1.5578 -0.0341
H9 -2.5598 -0.3454 -0.3386   -2.5276 -0.5224 -0.3538
H10 -1.1785 -1.4715 -0.1956   -1.0771 -1.5508 -0.1659
H11 -1.6993 -0.5095 1.2198   -1.6762 -0.5869 1.2169
Atom - Atom Distances (Å)
  C1 C2 C3 F4 H5 H6 H7 H8 H9 H10 H11
C1 1.5270 2.5743 1.4362 1.1061 1.1074 2.1529 2.1319 3.5251 2.8534 2.8496
C2 1.5270 1.5428 2.4313 2.1951 2.1987 1.1072 1.1096 2.1932 2.1960 2.1984
C3 2.5743 1.5428 3.0285 3.5387 2.8198 2.1904 2.1885 1.1051 1.1043 1.1069
F4 1.4362 2.4313 3.0285 2.0436 2.0433 2.6692 3.3601 4.0201 2.7464 3.4411
H5 1.1061 2.1951 3.5387 2.0436 1.8099 2.5089 2.4650 4.3711 3.8760 3.8554
H6 1.1074 2.1987 2.8198 2.0433 1.8099 3.0956 2.5490 3.8385 3.1644 2.6475
H7 2.1529 1.1072 2.1904 2.6692 2.5089 3.0956 1.7772 2.5283 2.5582 3.1145
H8 2.1319 1.1096 2.1885 3.3601 2.4650 2.5490 1.7772 2.5347 3.1116 2.5455
H9 3.5251 2.1932 1.1051 4.0201 4.3711 3.8385 2.5283 2.5347 1.7879 1.7877
H10 2.8534 2.1960 1.1043 2.7464 3.8760 3.1644 2.5582 3.1116 1.7879 1.7888
H11 2.8496 2.1984 1.1069 3.4411 3.8554 2.6475 3.1145 2.5455 1.7877 1.7888
Maximum atom distance is 4.3711Å between atoms H5 and H9.
picture of 1-Fluoropropane
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 C3 113.978 C2 C1 F4 110.232
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 108.578 C1 C2 H8 106.839
C2 C1 H5 111.959 C2 C1 H6 112.169
C2 C3 H9 110.758 C2 C3 H10 111.030
C2 C3 H11 111.063 C3 C2 H7 110.418
C3 C2 H8 110.123 F4 C1 H5 106.273
F4 C1 H6 106.174 H5 C1 H6 109.709
H7 C2 H8 106.585 H9 C3 H10 108.036
H9 C3 H11 107.830 H10 C3 H11 107.992

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