Run semi-empirical minimization
 &qmmm
    qm_theory='AM1', grms_tol=0.0002,
  tight_p_conv=1, scfconv=1.d-10,   qmcharge=-8,
 /
   6    C1        1.0290       -4.2200        2.4110 
   6    C2       -1.6870       -3.7290        2.0370 
   6    C3        0.3080       -3.5220        3.3780 
   6    C4        0.3680       -4.7370        1.3020 
   6    C5       -0.9890       -4.4750        1.0710 
   6    C6       -1.0580       -3.2340        3.1960 
   6    C7       -1.6800       -5.1050       -0.1320 
   6    C8       -1.8500       -2.5060        4.2770 
   6    C9        0.6690       -4.0090        5.6240 
   6   C10       -2.3280       -3.5170        5.3270 
   6   C11       -3.0340       -1.6300        3.8030 
   6   C12       -2.8850       -4.3260       -0.7160 
   6   C13       -3.1820       -5.3760        7.2500 
   6   C14       -1.5060       -3.8670        6.4000 
   6   C15       -3.5860       -4.1420        5.2350 
   6   C16       -4.0660       -5.0170        6.2180 
   6   C17       -1.9340       -4.7650        7.3750 
   6   C18       -5.4440       -5.6550        6.1170 
   6   C19       -5.3530       -6.9360        5.2900 
   6   C20       -6.7080       -4.7620        5.9130 
   6   C21       -4.9940       -9.3170        3.8210 
   6   C22       -5.0140       -8.1400        5.9230 
   6   C23       -5.4750       -6.9530        3.8930 
   6   C24       -5.3030       -8.1310        3.1300 
   6   C25       -4.9000       -9.3310        5.2120 
   6   C26       -5.3470       -8.0940        1.5960 
   6   C27       -6.2910       -6.9880        1.0220 
   6   C28       -3.9330       -7.9730        1.0570 
   6   C29       -1.2990       -7.6400        0.1000 
   6   C30       -3.0790       -9.0700        0.8730 
   6   C31       -3.4080       -6.7040        0.7680 
   6   C32       -2.1210       -6.5120        0.2280 
   6   C33       -1.7860       -8.9180        0.3690 
   6   C34       -3.4250       -7.6710        7.5460 
   6   C35       -7.4970       -4.7520        4.6010 
   6   C36       -2.6760       -0.4060        2.9650 
   6   C37       -2.5570       -2.9650       -1.3150 
   6   C38       -3.4230      -10.5370        2.6210 
   6   C39        0.8140       -6.9400        0.7510 
   6   C40       -2.7410      -11.8790        2.9080 
   6   C41       -2.7120       -8.6230        8.5080 
   6   C42        1.9430       -4.3740        6.3940 
   6   C43        2.1210       -7.7220        0.8590 
   6   C44       -1.2870      -14.2220        3.5110 
   6   C45       -2.7730      -12.4410        4.2000 
   6   C46       -1.9570      -12.5190        1.9300 
   6   C47       -1.2160      -13.6620        2.2400 
   6   C48       -2.0630      -13.6120        4.4980 
   6   C49       -1.2850      -10.4110       10.1640 
   6   C50       -3.2320       -9.8890        8.8190 
   6   C51       -1.4560       -8.2760        9.0370 
   6   C52       -0.7620       -9.1500        9.8830 
   6   C53       -2.5070      -10.7850        9.6110 
   6   C54        4.2250       -5.2570        7.8040 
   6   C55        1.9700       -4.3790        7.7990 
   6   C56        3.0880       -4.8290        5.7100 
   6   C57        4.2280       -5.2500        6.4090 
   6   C58        3.0890       -4.8470        8.4930 
   6   C59        4.4880       -9.2160        1.2380 
   6   C60        2.0850       -9.1240        0.9860 
   6   C61        3.3670       -7.0840        0.9350 
   6   C62        4.5330       -7.8260        1.1570 
   6   C63        3.2600       -9.8680        1.1450 
   6   C64        0.7360       -7.5660       10.7600 
   6   C65        5.6200       -5.4550        4.5110 
   6   C66        2.3410      -11.9650        0.6060 
   6   C67       -2.9080      -13.8610        6.6940 
   6   C68        1.3920       -4.9550       11.4940 
   6   C69        0.0200       -6.9390       11.7820 
   6   C70        1.7840       -6.9080       10.1160 
   6   C71        2.0920       -5.5910       10.4690 
   6   C72        0.3440       -5.6250       12.1360 
   6   C73        6.2550       -4.9570        1.8440 
   6   C74        5.5420       -6.4890        3.5800 
   6   C75        6.0330       -4.1780        4.1310 
   6   C76        6.3500       -3.9270        2.7900 
   6   C77        5.8330       -6.2260        2.2400 
   6   C78        6.7930       -2.5910        2.3250 
   6   C79        0.4820      -13.5450       -0.7490 
   6   C80        1.4350      -12.7390        1.3300 
   6   C81        2.3430      -11.9900       -0.7900 
   6   C82        1.4090      -12.7820       -1.4700 
   6   C83        0.4880      -13.5060        0.6460 
   6   C84        1.4420      -12.7840       -2.9520 
   6   C85       -4.6840      -13.2590        8.7640 
   6   C86       -2.4680      -13.1190        7.7900 
   6   C87       -4.2210      -14.3250        6.6290 
   6   C88       -5.1040      -14.0310        7.6740 
   6   C89       -3.3700      -12.7940        8.8060 
   6   C90       -6.4940      -14.5220        7.5760 
   6   C91       -0.3730       -4.9290       13.2250 
   6   C92       -3.4970       -1.9010       -0.8120 
   6   C93       -3.9540        0.3610        2.6970 
   6   C94       -6.8150       -4.0200        3.4670 
   6   C95       -6.4450       -7.0040       -0.5040 
   6   C96       -6.7640       -5.6130       -1.0140 
   8    O1        0.9960       -3.1520        4.5090 
   8    O2        1.0790       -5.5510        0.4570 
   8    O3       -0.2470       -3.3450        6.5200 
   8    O4       -3.4820       -6.3620        8.1620 
   8    O5       -4.7500       -8.1790        7.2680 
   8    O6       -4.7520      -10.5070        3.1780 
   8    O7       -3.4910      -10.3350        1.1930 
   8    O8        0.0130       -7.5380       -0.2930 
   8    O9       -0.4280      -14.2970        1.3060 
   8   O10       -1.9930      -14.2130        5.7370 
   8   O11        0.4810       -8.8710       10.4090 
   8   O12       -2.9840      -12.0470        9.8970 
   8   O13        5.3750       -5.7500        5.8280 
   8   O14        3.1180       -4.8940        9.8700 
   8   O15        5.7610       -7.2120        1.2800 
   8   O16        3.2740      -11.2370        1.3080 
   8   O17        2.2240      -12.1630       -3.6470 
   8   O18        0.4870      -13.5600       -3.4920 
   8   O19        7.0710       -2.2940        1.1790 
   8   O20        6.8610       -1.6910        3.3210 
   8   O21        0.1910       -4.2310       14.0480 
   8   O22       -1.7080       -5.1190       13.1880 
   8   O23       -7.1300      -14.4970        6.5380 
   8   O24       -6.9620      -15.0240        8.7370 
   8   O25       -5.9240       -4.7580       -1.2740 
   8   O26       -8.0860       -5.3700       -1.1180 
   8   O27       -6.7740       -4.3500        2.2960 
   8   O28       -6.2350       -2.8870        3.9150 
   8   O29       -4.7970        0.5860        3.5620 
   8   O30       -4.1210        0.7630        1.4260 
   8   O31       -3.1090       -0.8480       -0.3150 
   8   O32       -4.8080       -2.1790       -0.9470 
   1    H1        2.0890       -4.4090        2.5470 
   1    H2       -2.7550       -3.5750        1.9100 
   1    H3       -1.1720       -1.7960        4.7710 
   1    H4       -0.9590       -5.1690       -0.9590 
   1    H5       -4.1990       -3.9510        4.3630 
   1    H6       -1.2840       -5.0130        8.2070 
   1    H7       -5.6680       -6.0000        7.1380 
   1    H8       -5.6500       -6.0160        3.3820 
   1    H9       -4.6880      -10.2540        5.7400 
   1   H10       -5.7750       -9.0440        1.2480 
   1   H11       -1.1540       -9.7870        0.2160 
   1   H12       -6.4150       -3.7280        6.1400 
   1   H13       -7.4170       -5.0410        6.7060 
   1   H14       -3.5590       -1.2780        4.7020 
   1   H15       -3.7690       -2.2140        3.2380 
   1   H16       -3.6700       -4.2280        0.0430 
   1   H17       -3.3220       -4.9330       -1.5220 
   1   H18       -2.7990       -7.6640        6.6370 
   1   H19        0.2650       -4.9780        5.2810 
   1   H20       -2.7670       -9.7890        3.1010 
   1   H21        0.3380       -7.0580        1.7400 
   1   H22       -3.3460      -11.9440        4.9750 
   1   H23       -1.9090      -12.1250        0.9180 
   1   H24       -0.7230      -15.1220        3.7390 
   1   H25       -4.2030      -10.1910        8.4330 
   1   H26       -1.0130       -7.3210        8.7700 
   1   H27       -0.7360      -11.1040       10.7950 
   1   H28        1.1120       -4.0280        8.3680 
   1   H29        3.0730       -4.8660        4.6260 
   1   H30        5.0980       -5.6010        8.3510 
   1   H31        1.1270       -9.6340        0.9740 
   1   H32        3.4380       -6.0040        0.8360 
   1   H33        5.4010       -9.7830        1.3910 
   1   H34       -0.7500       -7.4890       12.3180 
   1   H35        2.3570       -7.4250        9.3510 
   1   H36        1.6610       -3.9420       11.7900 
   1   H37        5.2590       -7.4870        3.9010 
   1   H38        6.1180       -3.3950        4.8800 
   1   H39        6.5030       -4.7720        0.8000 
   1   H40        1.4720      -12.7430        2.4160 
   1   H41        3.0750      -11.4070       -1.3440 
   1   H42       -0.2450      -14.1700       -1.2620 
   1   H43       -1.4320      -12.7970        7.8450 
   1   H44       -4.5510      -14.9210        5.7810 
   1   H45       -5.3740      -12.9860        9.5590 
   1   H46       -2.6270       -2.9900       -2.4080 
   1   H47       -1.5370       -2.6550       -1.0660 
   1   H48       -1.9870        0.2570        3.4990 
   1   H49       -2.1970       -0.7090        2.0330 
   1   H50       -7.7620       -5.7550        4.2680 
   1   H51       -8.4350       -4.2090        4.7780 
   1   H52       -5.9420       -5.9910        1.3200 
   1   H53       -7.2870       -7.0970        1.4710 
   1   H54       -5.5370       -7.3270       -1.0220 
   1   H55       -7.2260       -7.7100       -0.8090 
   1   H56       -4.0180       -5.8360        0.9690 

