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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

B3LYPultrafine/TZVP


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.7944 0.5149 0.2996   -0.8337 0.4656 0.2724
C2 -0.5962 0.6478 -0.2862   0.5519 0.6795 -0.3010
C3 -1.5429 -0.4820 0.1182   1.5718 -0.3646 0.1529
F4 1.4154 -0.6538 -0.1698   -1.3620 -0.7600 -0.1642
H5 1.4323 1.3540 0.0118   -1.5262 1.2462 -0.0516
H6 0.7654 0.4445 1.3908   -0.8153 0.4337 1.3656
H7 -0.5132 0.7016 -1.3755   0.4809 0.6910 -1.3925
H8 -0.9965 1.6127 0.0445   0.8769 1.6813 0.0012
H9 -2.5287 -0.3446 -0.3300   2.5515 -0.1710 -0.2878
H10 -1.1575 -1.4493 -0.2067   1.2619 -1.3676 -0.1433
H11 -1.6724 -0.5193 1.2031   1.6880 -0.3563 1.2400
Atom - Atom Distances (Å)
  C1 C2 C3 F4 H5 H6 H7 H8 H9 H10 H11
C1 1.5147 2.5475 1.4043 1.0926 1.0938 2.1332 2.1160 3.4897 2.8151 2.8232
C2 1.5147 1.5285 2.3988 2.1684 2.1697 1.0938 1.0957 2.1729 2.1725 2.1767
C3 2.5475 1.5285 2.9773 3.4977 2.7940 2.1662 2.1660 1.0916 1.0908 1.0933
F4 1.4043 2.3988 2.9773 2.0161 2.0160 2.6477 3.3167 3.9595 2.6934 3.3819
H5 1.0926 2.1684 3.4977 2.0161 1.7815 2.4769 2.4428 4.3234 3.8228 3.8167
H6 1.0938 2.1697 2.7940 2.0160 1.7815 3.0583 2.5063 3.7993 3.1363 2.6280
H7 2.1332 1.0938 2.1662 2.6477 2.4769 3.0583 1.7550 2.5001 2.5314 3.0795
H8 2.1160 1.0957 2.1660 3.3167 2.4428 2.5063 1.7550 2.5137 3.0766 2.5188
H9 3.4897 2.1729 1.0916 3.9595 4.3234 3.7993 2.5001 2.5137 1.7652 1.7647
H10 2.8151 2.1725 1.0908 2.6934 3.8228 3.1363 2.5314 3.0766 1.7652 1.7657
H11 2.8232 2.1767 1.0933 3.3819 3.8167 2.6280 3.0795 2.5188 1.7647 1.7657
Maximum atom distance is 4.3234Å 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 113.670 C2 C1 F4 110.472
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 108.651 C1 C2 H8 107.218
C2 C1 H5 111.512 C2 C1 H6 111.537
C2 C3 H9 110.963 C2 C3 H10 110.972
C2 C3 H11 111.164 C3 C2 H7 110.290
C3 C2 H8 110.167 F4 C1 H5 107.029
F4 C1 H6 106.954 H5 C1 H6 109.132
H7 C2 H8 106.555 H9 C3 H10 107.965
H9 C3 H11 107.744 H10 C3 H11 107.887

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