Run semi-empirical minimization
 &qmmm
    qm_theory='AM1', grms_tol=0.0002,
  tight_p_conv=1, scfconv=1.d-10,   qmcharge=0,
 /
   6     C       12.9060       59.1090       31.7270 
   1   HC1       12.8970       60.2130       31.5730 
   1   HC2       11.9840       58.8400       31.1600 
   7     N       11.6800       57.7350       33.2900 
   1   HN1       12.0300       57.0170       32.6560 
   1   HN2       10.7420       58.0770       33.0820 
   1   HN3       11.4560       57.4110       34.2310 
   6    C1       13.7220       53.9810       30.5650 
   1    H1       13.3480       53.1150       29.9700 
   1    H4       14.4280       54.4140       29.8190 
   6    C2       14.1510       58.4740       31.0870 
   1    H2       14.6110       59.1660       30.3440 
   1    H5       14.9870       58.4120       31.8220 
  16     S       14.5990       53.4260       32.0640 
   6    C3       12.5830       54.9670       30.8970 
   1    HC       11.9400       55.0020       29.9870 
   6    C4       11.2200       51.3220       33.7080 
   6    C5       12.2460       59.8130       34.1420 
   6    C6       13.8770       57.1110       30.4610 
   6    C7       10.5860       52.4520       32.9070 
   1    H3        9.9370       53.1200       33.5200 
   1    H6        9.7970       52.1050       32.2000 
   6    C8       11.6680       54.5010       32.0320 
   8     O       10.9970       55.2900       32.6490 
   8    O1       14.4290       56.7590       29.4480 
   6    C9       12.7590       58.7600       33.2130 
   1    H7       13.7150       58.3390       33.6030 
   7    N1       12.9700       56.3630       31.1640 
   1    HN       12.5150       56.8200       31.9540 
   7    N2       11.6870       53.1550       32.2500 
   1    H8       12.4990       52.6190       31.9440 
   8    O2       11.2700       59.3900       34.7950 
   8    O3       12.6700       60.9820       34.0870 
   8    O4       10.5600       50.7940       34.6290 
   8    O5       12.3990       51.0300       33.3970 

