    0    0    2
fs4.dat
Fe4S4.au SVP BP-RI C2 C=-2, 18 unpaired e to start with                         
fs4.dat
  FS4  INT     1
 CHANGE OMIT DU   BEG
   0.00000
   1  DUMM  DU    M     0.0000  0.0000   .0000   .0000
   2  DUMM  DU    M     0.0000  1.0000   .0000   .0000
   3  DUMM  DU    M     1.0000  1.0000   .0000   .0000
   4  FE1   FE    M    -0.6740 -1.1330  0.9380  0.3865
   5  S2    S2    M    -1.6430  0.9720  1.2280 -0.5271
   6  FE3   FE    M    -1.1340  0.6730 -0.9380  0.4901
   7  S3    S2    M    -0.9700 -1.6440 -1.2290 -0.4149
   8  FE2   FE    M     0.6740  1.1330  0.9380  0.4373
   9  S4    S2    M     0.9700  1.6440 -1.2290 -0.4897
  10  FE4   FE    M     1.1340 -0.6730 -0.9380  0.6070
  11  S1    S2    M     1.6430 -0.9720  1.2280 -0.5410


LOOP
FE1  S1
FE1  S3
FE2  S1
FE3  S4
FE4  S2


DONE
STOP
