Run semi-empirical minimization
 &qmmm
    qm_theory='AM1', grms_tol=0.0005,
 scfconv=1.d-10, ndiis_attempts=700,   qmcharge=0,
 /
   6    C1       81.5560       70.9510      109.7010 
   6    C2       81.9500       69.5010      109.8200 
   6    C3       81.3580       68.5100      110.5780 
   8    O1       80.2190       68.6470      111.3610 
   7    N1       82.0460       67.3620      110.4690 
   7    N2       83.0760       67.5790      109.6650 
   6    C4       83.0510       68.8660      109.2560 
   1    H1       79.7760       69.4710      111.4030 
   1    H2       81.8240       66.5100      110.9090 
   6    C5       84.0710       69.4410      108.3530 
   6    C6       85.3210       68.8160      108.2320 
   6    C7       86.2990       69.3410      107.3820 
   6    C8       86.0340       70.4970      106.6440 
   6    C9       84.7920       71.1260      106.7550 
   6   C10       83.8170       70.5990      107.6050 
   6   C11       80.2510       71.1820      108.9950 
   6   C12       79.1920       71.8670      109.6090 
   6   C13       77.9860       72.0510      108.9280 
   6   C14       77.8270       71.5500      107.6330 
   6   C15       78.8760       70.8590      107.0110 
   6   C16       80.0850       70.6780      107.7010 
   8    O2       76.6230       71.7420      106.9680 
   1    H3       75.9240       72.2050      107.3870 
   8    O3       78.6980       70.3650      105.7120 
   6   C17       79.1910       71.0240      104.5510 
   6   C18       79.9300       70.0400      103.6630 
   6   C19       81.7140       71.7390      110.9750 
   6   C20       80.8680       71.7810      112.0650 
   8    O4       79.6860       71.0680      112.2120 
   7    N3       81.3420       72.6300      112.9920 
   7    N4       82.4680       73.1530      112.5290 
   6   C21       82.7180       72.6420      111.3030 
   1    H4       79.4010       70.4880      111.5330 
   1    H5       80.9260       72.8290      113.8610 
   6   C22       83.8860       73.0400      110.4880 
   6   C23       85.1420       72.4770      110.7560 
   6   C24       86.2600       72.8430      110.0010 
   6   C25       86.1320       73.7790      108.9720 
   6   C26       84.8870       74.3500      108.7000 
   6   C27       83.7700       73.9830      109.4560 
   1    H6       82.2880       71.3660      109.0400 
   1    H7       85.5200       67.9610      108.7750 
   1    H8       87.2160       68.8750      107.3000 
   1    H9       86.7560       70.8860      106.0170 
   1   H10       84.5950       71.9800      106.2090 
   1   H11       82.9000       71.0670      107.6830 
   1   H12       79.3040       72.2360      110.5660 
   1   H13       77.2110       72.5580      109.3820 
   1   H14       80.8600       70.1680      107.2490 
   1   H15       79.8600       71.8050      104.8460 
   1   H16       78.3670       71.4340      104.0060 
   1   H17       80.7570       69.6250      104.2010 
   1   H18       80.2900       70.5460      102.7920 
   1   H19       79.2650       69.2550      103.3700 
   1   H20       85.2420       71.7870      111.5170 
   1   H21       87.1800       72.4220      110.2040 
   1   H22       86.9570       74.0480      108.4130 
   1   H23       84.7920       75.0430      107.9410 
   1   H24       82.8520       74.4090      109.2530 

