%chk=000109343.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000109343

0 1
 O    6.229600     -4.8400000E-02  -1.319300    
 N   -3.873700      0.8864000     -0.2491000    
 N   -2.381100      -2.370200     -9.2000000E-02
 C   -2.003700       1.976400      0.9430000    
 C  -0.9276000       1.648700     -9.9600002E-02
 C   -3.429900       2.127500      0.3848000    
 C   0.4407000       1.460000      0.5614000    
 C    1.510200       1.092600     -0.4688000    
 C    2.871300      0.8714000      0.1962000    
 C    3.932100      0.4707000     -0.8358000    
 C    5.333300      0.2440000     -0.2500000    
 C   -4.198000     -0.1165000      0.7532000    
 C   -3.563100       3.281500     -0.6061000    
 C   -4.658100      -1.409200      7.6899998E-02
 C    5.369700     -0.8774000      0.7948000    
 C   -3.588800      -2.021600     -0.8305000    
 C    6.763600      -1.095400       1.370600    
 C   -2.581900      -3.602300      0.6730000    
 C   -1.244500      -2.518200      -1.002900    
 H   -1.979000       1.225500       1.740800    
 H   -1.729500       2.921100       1.432200    
 H   -1.194600      0.7344000     -0.6401000    
 H  -0.8608000       2.455800     -0.8377000    
 H   -4.095600       2.371600       1.224100    
 H   0.7296000       2.381400       1.081200    
 H   0.3751000      0.6680000       1.317500    
 H    1.209600      0.1807000     -0.9992000    
 H    1.590600       1.890600      -1.216800    
 H    3.186900       1.785800      0.7122000    
 H    2.763300      8.7499999E-02  0.9529000    
 H    3.612400     -0.4389000      -1.361300    
 H    3.994500       1.246100      -1.610700    
 H   -4.700600       1.065300     -0.8188000    
 H    5.681000       1.173800      0.2164000    
 H   -5.013500      0.2409000       1.394300    
 H   -3.349900     -0.3443000       1.405100    
 H   -3.001200       3.098600      -1.528200    
 H   -3.195600       4.214600     -0.1658000    
 H   -4.611600       3.437700     -0.8840000    
 H   -5.550400      -1.203200     -0.5292000    
 H   -4.980900      -2.122800      0.8431000    
 H    4.693500     -0.6549000       1.626000    
 H    5.038200      -1.817600      0.3378000    
 H   -4.004400      -2.896800      -1.347700    
 H   -3.356000      -1.297100      -1.621700    
 H    6.738500      -1.882000       2.131500    
 H    7.472100      -1.401800      0.5947000    
 H    7.139900     -0.1808000       1.839900    
 H    6.215800      0.7074000      -1.930800    
 H   -2.844100      -4.452300      3.2299999E-02
 H   -1.668200      -3.861400       1.220600    
 H   -3.361900      -3.484700       1.431400    
 H  -0.3298000      -2.742600     -0.4427000    
 H   -1.405400      -3.316100      -1.736900    
 H   -1.055500      -1.584700      -1.544100    


%chk=000109343-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000109343

0 1
O 6.335369 0.178787 -1.353375
N -3.982388 0.968616 -0.332455
N -2.311207 -2.435328 0.280802
C -2.122902 2.065402 0.944935
C -1.012481 1.830692 -0.102310
C -3.553462 2.218128 0.353994
C 0.333494 1.421971 0.536369
C 1.456416 1.190161 -0.499673
C 2.799190 0.770481 0.139625
C 3.914009 0.520429 -0.902461
C 5.305777 0.247571 -0.287975
C -4.393341 -0.150018 0.547705
C -3.650055 3.393774 -0.641436
C -4.575748 -1.452163 -0.259743
C 5.406157 -1.090670 0.463000
C -3.234991 -1.998674 -0.797230
C 6.780497 -1.306808 1.129696
C -2.725293 -3.697780 0.925114
C -0.908330 -2.496154 -0.177893
H -2.120236 1.216812 1.658331
H -1.897026 2.972932 1.542830
H -1.357449 1.039119 -0.796629
H -0.861719 2.746130 -0.710334
H -4.234394 2.446659 1.215074
H 0.656916 2.203056 1.257054
H 0.185385 0.494978 1.129190
H 1.133379 0.409815 -1.220899
H 1.605409 2.116633 -1.093346
H 3.126560 1.560650 0.848588
H 2.638831 -0.144148 0.744982
H 3.640594 -0.330706 -1.557859
H 3.985777 1.415761 -1.558855
H -4.711570 1.167042 -1.033277
H 5.556815 1.079178 0.412302
H -5.330968 0.077759 1.114666
H -3.595104 -0.326397 1.290542
H -3.065309 3.180668 -1.554187
H -3.262448 4.324077 -0.189095
H -4.700436 3.574948 -0.940921
H -5.252231 -1.269531 -1.120899
H -5.079604 -2.206535 0.375604
H 4.606739 -1.130059 1.227643
H 5.206098 -1.902178 -0.264270
H -3.431513 -2.829006 -1.524988
H -2.743142 -1.177408 -1.350198
H 6.831794 -2.292884 1.626837
H 7.582548 -1.251573 0.374827
H 6.977522 -0.531505 1.894768
H 6.290095 1.010029 -1.890870
H -2.733785 -4.567732 0.217891
H -2.032968 -3.937034 1.752479
H -3.737554 -3.598841 1.353107
H -0.248177 -2.748109 0.672537
H -0.734061 -3.256831 -0.982169
H -0.602880 -1.509386 -0.569041


