The gjf format is as follows:
%chk=test.chk# hf/3-21g geom=connectivityTitle Card Required0 1 C 0.53424883 1.46721985 -0.02620215 H 0.89090326 0.45840985 -0.02620215 H 0.89092167 1.97161804 0.84744935 H 0.89092167 1.97161804 -0.89985366 H -0.53575117 1.46723303 -0.02620215 1 2 1.0 3 1.0 4 1.0 5 1.0 2 3 4 5
and xyz format is as follows:
5 # this is the number of atoms C 0.53424883 1.46721985 -0.02620215 H 0.89090326 0.45840985 -0.02620215 H 0.89092167 1.97161804 0.84744935 H 0.89092167 1.97161804 -0.89985366 H -0.53575117 1.46723303 -0.02620215