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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/STO-3G


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.8322 0.5211 0.2932   0.7921 0.5815 0.2905
C2 -0.6436 0.6812 -0.2870   -0.6842 0.6306 -0.3079
C3 -1.5679 -0.5156 0.1232   -1.5314 -0.6167 0.1182
F4 1.4556 -0.6677 -0.1730   1.4988 -0.5722 -0.1440
H5 1.4362 1.4264 -0.0084   1.3380 1.5188 -0.0240
H6 0.7770 0.5173 1.4210   0.7243 0.5971 1.4176
H7 -0.5879 0.7494 -1.3955   -0.6204 0.6797 -1.4169
H8 -1.0640 1.6393 0.0904   -1.1719 1.5660 0.0449
H9 -2.5711 -0.4124 -0.3374   -2.5338 -0.5903 -0.3547
H10 -1.1236 -1.4740 -0.2141   -1.0203 -1.5499 -0.1943
H11 -1.6908 -0.5574 1.2244   -1.6640 -0.6440 1.2186
Atom - Atom Distances (Å)
  C1 C2 C3 F4 H5 H6 H7 H8 H9 H10 H11
C1 1.5938 2.6200 1.4210 1.1293 1.1292 2.2182 2.2107 3.5849 2.8395 2.8975
C2 1.5938 1.5669 2.4979 2.2268 2.2276 1.1120 1.1123 2.2167 2.2092 2.2170
C3 2.6200 1.5669 3.0418 3.5797 2.8723 2.2062 2.2134 1.1087 1.1089 1.1088
F4 1.4210 2.4979 3.0418 2.1006 2.0990 2.7710 3.4264 4.0381 2.7026 3.4445
H5 1.1293 2.2268 3.5797 2.1006 1.8178 2.5455 2.5113 4.4214 3.8739 3.9030
H6 1.1292 2.2276 2.8723 2.0990 1.8178 3.1384 2.5336 3.8944 3.2018 2.6989
H7 2.2182 1.1120 2.2062 2.7710 2.5455 3.1384 1.7963 2.5303 2.5741 3.1285
H8 2.2107 1.1123 2.2134 3.4264 2.5113 2.5336 1.7963 2.5815 3.1287 2.5503
H9 3.5849 2.2167 1.1087 4.0381 4.4214 3.8944 2.5303 2.5815 1.7993 1.7986
H10 2.8395 2.2092 1.1089 2.7026 3.8739 3.2018 2.5741 3.1287 1.7993 1.7976
H11 2.8975 2.2170 1.1088 3.4445 3.9030 2.6989 3.1285 2.5503 1.7986 1.7976
Maximum atom distance is 4.4214Å 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 111.976 C2 C1 F4 111.769
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 108.824 C1 C2 H8 108.241
C2 C1 H5 108.516 C2 C1 H6 108.585
C2 C3 H9 110.725 C2 C3 H10 110.126
C2 C3 H11 110.739 C3 C2 H7 109.715
C3 C2 H8 110.253 F4 C1 H5 110.384
F4 C1 H6 110.259 H5 C1 H6 107.192
H7 C2 H8 107.719 H9 C3 H10 108.462
H9 C3 H11 108.412 H10 C3 H11 108.301

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