%chk=000111508.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000111508

0 1
 O   -5.785700      -1.412200     -0.1151000    
 N    10.73600     -0.5352000     -0.2867000    
 C   -5.733900       1.030200      3.3700000E-02
 C   -4.348000       1.098800     -0.6688000    
 C   -3.127000      0.9350000      0.2456000    
 C   -1.794500      0.9620000     -0.5140000    
 C  -0.5373000      0.7160000      0.3261000    
 C   -5.906500     -0.3116000      0.7793000    
 C   -5.909100       2.203200       1.016300    
 C   -6.822100       1.155000      -1.055500    
 C   0.7518000      0.6893000     -0.4974000    
 C    1.971200      0.4321000      0.3907000    
 C    3.257600      0.3723000     -0.4349000    
 C    4.473000      8.1400000E-02  0.4483000    
 C    5.753400     -9.8999999E-03 -0.3847000    
 C    7.013900     -0.2290000      0.4571000    
 C    8.302700     -0.2464000     -0.3690000    
 C   -5.977900      -2.649800      0.5549000    
 C    9.520600     -0.5025000      0.5185000    
 C   -5.838000      -3.778500     -0.4443000    
 H   -4.299900      0.3276000      -1.449200    
 H   -4.260200       2.060100      -1.193000    
 H   -3.113500       1.728100       1.001000    
 H   -3.184700     -1.8800000E-02  0.7802000    
 H   -1.697200       1.931700      -1.018700    
 H   -1.832500      0.2044000      -1.307400    
 H  -0.4649000       1.496400       1.093500    
 H  -0.6467000     -0.2386000      0.8556000    
 H   -5.175700     -0.4096000       1.590000    
 H   -6.903100     -0.3416000       1.239600    
 H   0.6801000     -9.3900003E-02  -1.261800    
 H   0.8717000       1.644500      -1.022500    
 H   -6.921900       2.216800       1.435100    
 H   -5.740800       3.165200      0.5198000    
 H   -5.212000       2.131200       1.857500    
 H   -6.749600       2.116600      -1.576300    
 H   -7.825500       1.087500     -0.6202000    
 H   -6.732500      0.3648000      -1.809100    
 H    1.838300     -0.5136000      0.9304000    
 H    2.053000       1.225500       1.143500    
 H    3.166100     -0.4085000      -1.199800    
 H    3.402200       1.324300     -0.9600000    
 H    4.578400      0.8740000       1.198800    
 H    4.323300     -0.8601000      0.9902000    
 H    5.871200      0.9146000     -0.9638000    
 H    5.658500     -0.8273000      -1.110200    
 H    7.083200      0.5642000       1.211900    
 H    6.916800      -1.176400       1.001800    
 H    8.231100      -1.026800      -1.137000    
 H    8.413400      0.7120000     -0.8913000    
 H   -6.976900      -2.678000       1.004200    
 H   -5.228400      -2.763400       1.346100    
 H    9.413000      -1.459800       1.039500    
 H    9.608400      0.2829000       1.277200    
 H   -6.572600      -3.673700      -1.249500    
 H   -4.848200      -3.758300     -0.9122000    
 H   -5.980100      -4.748900      3.9400000E-02
 H    10.86180      0.3613000     -0.7551000    
 H    11.54290     -0.6540000      0.3244000    


%chk=000111508-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000111508

0 1
O -5.949955 -1.339520 -0.017402
N 10.940758 -0.203969 -0.198134
C -5.763422 1.111618 0.015233
C -4.388879 1.014256 -0.719577
C -3.155498 0.701416 0.157335
C -1.832394 0.764410 -0.640447
C -0.589751 0.417232 0.209868
C -6.035384 -0.161060 0.851808
C -5.792733 2.327159 0.980149
C -6.882464 1.270576 -1.047708
C 0.741348 0.534495 -0.566282
C 1.980401 0.179785 0.286459
C 3.316164 0.331600 -0.475514
C 4.553242 -0.025770 0.378975
C 5.890649 0.143359 -0.376388
C 7.127344 -0.212408 0.479468
C 8.461582 -0.039203 -0.279416
C -6.242947 -2.587393 0.696929
C 9.695868 -0.383469 0.578434
C -6.112950 -3.736988 -0.302479
H -4.471927 0.230278 -1.497127
H -4.221801 1.976432 -1.249014
H -3.090851 1.412249 1.006656
H -3.262322 -0.311595 0.594491
H -1.711080 1.782281 -1.067696
H -1.892689 0.070583 -1.504920
H -0.554953 1.086641 1.095476
H -0.694219 -0.614666 0.606042
H -5.297049 -0.251237 1.680629
H -7.051831 -0.099675 1.306565
H 0.707159 -0.127375 -1.457055
H 0.847933 1.569605 -0.953613
H -6.774286 2.411161 1.485226
H -5.622273 3.264581 0.418552
H -5.014573 2.254385 1.762233
H -6.683598 2.145308 -1.695097
H -7.869264 1.419014 -0.568154
H -6.939637 0.369024 -1.682068
H 1.884838 -0.863123 0.655139
H 1.999483 0.826634 1.188949
H 3.297898 -0.311431 -1.380479
H 3.412354 1.376067 -0.839702
H 4.564408 0.609828 1.289513
H 4.462647 -1.073855 0.733967
H 5.980459 1.191783 -0.730777
H 5.881141 -0.491508 -1.286939
H 7.133939 0.420890 1.391824
H 7.038453 -1.261932 0.830719
H 8.476912 -0.679640 -1.182549
H 8.545641 1.010596 -0.634822
H -7.271319 -2.544732 1.122877
H -5.530677 -2.713622 1.544102
H 9.634928 -1.446308 0.884188
H 9.656434 0.222926 1.518570
H -6.820347 -3.601327 -1.138799
H -5.090914 -3.772782 -0.717765
H -6.328238 -4.704063 0.187752
H 11.069952 0.750793 -0.549600
H 11.784991 -0.555718 0.264095


