%chk=000165112.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000165112

0 1
 O   -4.104300      -1.211900      0.3830000    
 O    1.537800      -2.696600       1.138000    
 N  -0.6290000      0.8572000     -0.7385000    
 N    1.666100     -0.4295000      0.6335000    
 C   5.4400001E-02   1.204900       1.662400    
 C    1.541900       1.969200     -0.1543000    
 C   -1.114200       1.081300      0.6409000    
 C   0.9890000       2.336200       1.225600    
 C    2.389600      0.6692000     -4.1800000E-02
 C   0.3528000       1.878500      -1.135500    
 C   0.8973000     -6.9600001E-02   1.829900    
 C   -2.108800     -2.1199999E-02   1.045100    
 C    2.988200      0.2577000      -1.388800    
 C   -1.734900      0.8135000      -1.706800    
 C   -3.273900     -0.1032000      6.1299998E-02
 C   -2.743800     -0.2775000      -1.356700    
 C    3.752700      -1.041100      -1.220800    
 C    1.964200      -1.780300      0.4294000    
 C    2.782300      -2.124800     -0.7988000    
 C   -5.207300      -1.312300     -0.5072000    
 H  -0.3714000       1.461700       2.641000    
 H    2.198900       2.780000     -0.4947000    
 H   -1.659500       2.037400      0.6649000    
 H   0.4450000       3.287800       1.182300    
 H    1.804200       2.469400       1.947100    
 H    3.232400      0.8906000      0.6298000    
 H  -0.1321000       2.863500      -1.191100    
 H   0.7239000       1.668900      -2.144500    
 H    1.633600      8.2099997E-02   2.630400    
 H   0.2775000     -0.9115000       2.152100    
 H   -1.620500      -1.002600       1.087800    
 H   -2.496400      0.1640000       2.054700    
 H    3.657500       1.042900      -1.758400    
 H    2.211000      0.1075000      -2.145700    
 H   -1.340100      0.6035000      -2.708300    
 H   -2.246600       1.783800      -1.756000    
 H   -3.863600      0.8201000      0.1366000    
 H   -3.550000     -0.2304000      -2.097000    
 H   -2.283100      -1.268200      -1.468900    
 H    4.543500     -0.9225000     -0.4704000    
 H    4.234900      -1.319600      -2.164100    
 H    3.339900      -3.045400     -0.5923000    
 H    2.076500      -2.340000      -1.610000    
 H   -5.958400      -1.951200     -3.2699998E-02
 H   -4.914400      -1.801800      -1.440400    
 H   -5.668900     -0.3387000     -0.7014000    


%chk=000165112-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000165112

0 1
O -4.056496 -1.298085 0.426500
O 0.918404 -2.557649 0.784535
N -0.565337 0.865006 -0.758945
N 1.721479 -0.373878 0.671535
C 0.052269 1.242570 1.656421
C 1.588836 2.014775 -0.136500
C -1.095439 1.068416 0.621557
C 0.970820 2.409299 1.225399
C 2.481086 0.739442 0.036538
C 0.433313 1.885526 -1.155459
C 0.935772 -0.010298 1.871912
C -2.062110 -0.079368 0.992131
C 3.172376 0.316314 -1.276139
C -1.652142 0.769772 -1.761544
C -3.208912 -0.181482 -0.021299
C -2.629972 -0.378257 -1.437982
C 3.740526 -1.110903 -1.172116
C 1.668037 -1.689444 0.227779
C 2.564649 -2.080252 -0.948728
C -5.320596 -1.408148 -0.296452
H -0.423571 1.475834 2.630094
H 2.262419 2.820757 -0.493668
H -1.683617 2.032094 0.651599
H 0.395998 3.350910 1.126290
H 1.759755 2.580217 1.984338
H 3.280155 1.032822 0.759346
H -0.038085 2.902783 -1.252118
H 0.811105 1.621498 -2.161520
H 1.637036 0.208244 2.706954
H 0.349096 -0.899618 2.149629
H -1.522750 -1.043759 1.000816
H -2.477089 0.093547 2.002904
H 3.963533 1.055472 -1.502305
H 2.450029 0.342055 -2.113621
H -1.193784 0.602923 -2.754913
H -2.226460 1.735436 -1.824682
H -3.814416 0.759062 -0.005200
H -3.431049 -0.395731 -2.201605
H -2.094617 -1.345091 -1.469514
H 4.455285 -1.177714 -0.327996
H 4.294930 -1.379452 -2.090583
H 2.901797 -3.113158 -0.754625
H 1.927538 -2.121219 -1.854953
H -5.903644 -2.181445 0.229041
H -5.178321 -1.719789 -1.351902
H -5.883939 -0.449036 -0.280247


