%chk=000058815.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000058815

0 1
 O    1.017700     -0.5470000     -0.7112000    
 O  -0.1176000      -1.863600      0.7985000    
 O   -1.400900     -0.2921000      -1.821400    
 N    3.922800     -0.6245000       1.276800    
 C    3.389600     -0.7188000      -1.264700    
 C    2.219100      -1.272800     -0.4323000    
 C    4.628500      -1.562400     -0.9321000    
 C    3.677300      0.7235000     -0.8121000    
 C    2.554100      -1.149600       1.065100    
 C    4.889300      -1.504000      0.5825000    
 C    4.003900      0.7307000      0.6899000    
 C  -9.2299998E-02 -0.9502000     -1.7999999E-02
 C   -1.299300     -8.8799998E-02 -0.4077000    
 C   -1.077200       1.392500     -0.1123000    
 C   -2.535100     -0.5885000      0.3159000    
 C   -3.633700      -1.118500     -0.2467000    
 C  -0.3028000       1.742900      0.9719000    
 C   -1.659200       2.327400     -0.9401000    
 C   -4.828000      -1.593400      0.5429000    
 C  -0.1003000       3.096400       1.242100    
 C   -1.456600       3.680800     -0.6700000    
 C   -6.071600     -0.7974000      0.1481000    
 C   -5.050400      -3.088000      0.3139000    
 C  -0.6772000       4.065200      0.4212000    
 H    3.160000     -0.7389000      -2.335100    
 H    2.057000      -2.324500     -0.7041000    
 H    5.500500      -1.182900      -1.477700    
 H    4.474700      -2.601700      -1.245800    
 H    2.812700       1.367500      -1.011600    
 H    4.522100       1.132900      -1.378900    
 H    1.861600     -0.5058000       1.616200    
 H    2.484400      -2.137500       1.538600    
 H    4.843400      -2.513700       1.009500    
 H    5.911200      -1.152300      0.7714000    
 H    5.006500       1.145400      0.8531000    
 H    3.318400       1.405400       1.217800    
 H   -2.513700     -0.5006000       1.402100    
 H  -0.6623000      0.1703000      -2.254100    
 H   -3.691100      -1.220400      -1.327500    
 H   0.1316000       1.012600       1.644700    
 H   -2.279900       2.049500      -1.786100    
 H   -4.654200      -1.438200       1.615400    
 H   0.5010000       3.395800       2.095600    
 H   -1.908500       4.435500      -1.307000    
 H   -5.925500      0.2734000      0.3293000    
 H   -6.939100      -1.119300      0.7343000    
 H   -6.315000     -0.9291000     -0.9123000    
 H   -4.169500      -3.666000      0.6147000    
 H   -5.901500      -3.447000      0.9025000    
 H   -5.254000      -3.308700     -0.7401000    
 H  -0.5214000       5.119000      0.6328000    


%chk=000058815-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000058815

0 1
O 0.994596 -0.603509 -0.330257
O 0.050569 -0.999653 1.764993
O -1.216297 0.174886 -1.449725
N 4.455921 -0.079952 0.514063
C 3.103933 -1.559789 -1.146685
C 2.268134 -1.271911 0.115697
C 4.381963 -2.314678 -0.678480
C 3.519679 -0.230256 -1.835281
C 3.099467 -0.343816 1.068333
C 5.172113 -1.376249 0.309749
C 4.329328 0.630334 -0.796712
C -0.037861 -0.541205 0.605541
C -1.265416 0.201484 0.009940
C -1.240086 1.665807 0.540341
C -2.543333 -0.494544 0.476143
C -3.462137 -1.028154 -0.362391
C -1.043707 1.947459 1.916227
C -1.472981 2.730058 -0.362750
C -4.749001 -1.698780 0.082261
C -1.071194 3.282491 2.377684
C -1.500891 4.063727 0.102918
C -5.979110 -0.928701 -0.468568
C -4.775801 -3.179683 -0.381864
C -1.299308 4.345822 1.473727
H 2.519776 -2.188256 -1.841690
H 1.966611 -2.206658 0.622604
H 4.993284 -2.569617 -1.563924
H 4.106927 -3.268095 -0.187918
H 2.623659 0.311578 -2.186504
H 4.133161 -0.462532 -2.725736
H 2.577984 0.622218 1.195048
H 3.198985 -0.804693 2.065657
H 5.298163 -1.854857 1.297710
H 6.180135 -1.147593 -0.079250
H 5.348929 0.846485 -1.162583
H 3.831731 1.598290 -0.608618
H -2.677174 -0.520292 1.564835
H -0.260401 0.117453 -1.714073
H -3.275656 -0.973448 -1.444396
H -0.861167 1.129935 2.623165
H -1.637423 2.495145 -1.418451
H -4.793452 -1.679789 1.190231
H -0.913886 3.491100 3.441991
H -1.683324 4.881477 -0.603839
H -5.985042 0.117199 -0.113280
H -6.920497 -1.412605 -0.146910
H -5.966065 -0.911909 -1.575166
H -3.924601 -3.744090 0.039242
H -5.713262 -3.673202 -0.063416
H -4.715554 -3.244643 -1.485254
H -1.320915 5.380710 1.833522


