   15 a1 /z  C3v
    0    1    1
    0    1  6.000000
    1    1    1
    0    1  6.000000
    2    1    1
    0    1  6.000000
    3    1    1
    3    1  6.000000
    3    1    1
    0    1  6.000000
    0    3    1
    0    2  2.000000    0    3  2.000000    0    4  2.000000
    1    5    1
    1    2  2.000000    1    3 -1.000000   -1    3  1.732051    1    4 -1.000000
   -1    4 -1.732051
    1    3    1
    0    2  2.000000    0    3  2.000000    0    4  2.000000
    2    5    1
    2    2  2.000000    2    3 -1.000000   -2    3 -1.732051    2    4 -1.000000
   -2    4  1.732051
    2    5    1
    1    2  2.000000    1    3 -1.000000   -1    3  1.732051    1    4 -1.000000
   -1    4 -1.732051
    2    3    1
    0    2  2.000000    0    3  2.000000    0    4  2.000000
    3    3    1
    3    2  2.000000    3    3  2.000000    3    4  2.000000
    3    5    1
    2    2  2.000000    2    3 -1.000000   -2    3 -1.732051    2    4 -1.000000
   -2    4  1.732051
    3    5    1
    1    2  2.000000    1    3 -1.000000   -1    3  1.732051    1    4 -1.000000
   -1    4 -1.732051
    3    3    1
    0    2  2.000000    0    3  2.000000    0    4  2.000000
    7 a2
    3    1    1
   -3    1  6.000000
    1    5    1
   -1    2  2.000000    1    3 -1.732051   -1    3 -1.000000    1    4  1.732051
   -1    4 -1.000000
    2    5    1
   -1    2  2.000000    1    3 -1.732051   -1    3 -1.000000    1    4  1.732051
   -1    4 -1.000000
    2    5    1
   -2    2  2.000000    2    3  1.732051   -2    3 -1.000000    2    4 -1.732051
   -2    4 -1.000000
    3    5    1
   -1    2  2.000000    1    3 -1.732051   -1    3 -1.000000    1    4  1.732051
   -1    4 -1.000000
    3    5    1
   -2    2  2.000000    2    3  1.732051   -2    3 -1.000000    2    4 -1.732051
   -2    4 -1.000000
    3    3    1
   -3    2  2.000000   -3    3  2.000000   -3    4  2.000000
   21 e/x
    1    1    1
    1    1  6.000000
    2    1    1
    2    1  6.000000
    2    1    1
    1    1  6.000000
    3    1    1
    2    1  6.000000
    3    1    1
    1    1  6.000000
    0    3    1
    0    2  4.000000    0    3 -2.000000    0    4 -2.000000
    1    5    1
    1    2  4.000000    1    3  1.000000   -1    3 -1.732051    1    4  1.000000
   -1    4  1.732051
    1    3    1
    0    2  4.000000    0    3 -2.000000    0    4 -2.000000
    1    4    1
    1    3  3.000000   -1    3  1.732051    1    4  3.000000   -1    4 -1.732051
    2    5    1
    2    2  4.000000    2    3  1.000000   -2    3  1.732051    2    4  1.000000
   -2    4 -1.732051
    2    5    1
    1    2  4.000000    1    3  1.000000   -1    3 -1.732051    1    4  1.000000
   -1    4  1.732051
    2    3    1
    0    2  4.000000    0    3 -2.000000    0    4 -2.000000
    2    4    1
    1    3  3.000000   -1    3  1.732051    1    4  3.000000   -1    4 -1.732051
    2    4    1
    2    3 -3.000000   -2    3  1.732051    2    4 -3.000000   -2    4 -1.732051
    3    3    1
    3    2  4.000000    3    3 -2.000000    3    4 -2.000000
    3    5    1
    2    2  4.000000    2    3  1.000000   -2    3  1.732051    2    4  1.000000
   -2    4 -1.732051
    3    5    1
    1    2  4.000000    1    3  1.000000   -1    3 -1.732051    1    4  1.000000
   -1    4  1.732051
    3    3    1
    0    2  4.000000    0    3 -2.000000    0    4 -2.000000
    3    4    1
    1    3  3.000000   -1    3  1.732051    1    4  3.000000   -1    4 -1.732051
    3    4    1
    2    3 -3.000000   -2    3  1.732051    2    4 -3.000000   -2    4 -1.732051
    3    2    1
   -3    3 -3.464102   -3    4  3.464102
   21 e/y
    1    1    1
   -1    1  6.000000
    2    1    1
   -2    1 -6.000000
    2    1    1
   -1    1  6.000000
    3    1    1
   -2    1 -6.000000
    3    1    1
   -1    1  6.000000
    0    2    1
    0    3  3.464102    0    4 -3.464102
    1    4    1
    1    3 -1.732051   -1    3  3.000000    1    4  1.732051   -1    4  3.000000
    1    2    1
    0    3  3.464102    0    4 -3.464102
    1    5    1
   -1    2  4.000000    1    3  1.732051   -1    3  1.000000    1    4 -1.732051
   -1    4  1.000000
    2    4    1
    2    3 -1.732051   -2    3 -3.000000    2    4  1.732051   -2    4 -3.000000
    2    4    1
    1    3 -1.732051   -1    3  3.000000    1    4  1.732051   -1    4  3.000000
    2    2    1
    0    3  3.464102    0    4 -3.464102
    2    5    1
   -1    2  4.000000    1    3  1.732051   -1    3  1.000000    1    4 -1.732051
   -1    4  1.000000
    2    5    1
   -2    2  4.000000    2    3 -1.732051   -2    3  1.000000    2    4  1.732051
   -2    4  1.000000
    3    2    1
    3    3  3.464102    3    4 -3.464102
    3    4    1
    2    3 -1.732051   -2    3 -3.000000    2    4  1.732051   -2    4 -3.000000
    3    4    1
    1    3 -1.732051   -1    3  3.000000    1    4  1.732051   -1    4  3.000000
    3    2    1
    0    3  3.464102    0    4 -3.464102
    3    5    1
   -1    2  4.000000    1    3  1.732051   -1    3  1.000000    1    4 -1.732051
   -1    4  1.000000
    3    5    1
   -2    2  4.000000    2    3 -1.732051   -2    3  1.000000    2    4  1.732051
   -2    4  1.000000
    3    3    1
   -3    2  4.000000   -3    3 -2.000000   -3    4 -2.000000
 
         symOrb  v2.3d 
  **  Nsym, Isyml, Jsyml  ** 

    4
    1    1    1    1 
    1    1    2    0 
 
C3v   with angular momentum= {{0, 3}, {0, 3}}
 
 Number of atoms= 4
  Equivalent atoms
a01

a02   a03   a04
 
  Positions of atoms
0                0                          Hold[0.71292]   1

Hold[1.77863]    0                          0               2

-Hold[1.77863]   Sqrt[3] Hold[1.77863]
--------------   ---------------------
      2                    2                0               3

-Hold[1.77863]   -(Sqrt[3] Hold[1.77863])
--------------   ------------------------
      2                     2               0               4
 
C3v  Positions of atoms
4
        0.0000000000        0.0000000000        0.7129200000    1    1
        1.7786300000        0.0000000000        0.0000000000    2    2
       -0.8893150000        1.5403387639        0.0000000000    2    3
       -0.8893150000       -1.5403387639        0.0000000000    2    4
