%chk=000138664.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000138664

0 1
 N  -0.6195000      -1.407500      -2.371000    
 N    4.989600     -0.3474000      0.2226000    
 C   -1.535100      0.2767000     -0.6028000    
 C  -0.5549000      0.9277000      0.3252000    
 C   -1.142300       1.709900     -0.8104000    
 C   0.8973000      0.5945000      0.3014000    
 C   -2.906100      3.2499999E-02 -5.0299998E-02
 C   -1.026900     -0.6583000      -1.584400    
 C    1.314600     -0.7200000      0.5087000    
 C    1.839100       1.596900      6.8800002E-02
 C   -3.061100     -0.7503000       1.088900    
 C   -4.013200      0.5887000     -0.6825000    
 C    2.673800      -1.032500      0.4836000    
 C    3.198300       1.284600      4.3499999E-02
 C    3.615800     -3.0200001E-02  0.2509000    
 C   -4.337800     -0.9798000       1.601800    
 C   -5.289900      0.3593000     -0.1694000    
 C   -5.452100     -0.4250000      0.9728000    
 C    5.431700      -1.657900     -0.2106000    
 C    5.978500      0.6379000      0.6132000    
 H  -0.9209000       1.218200       1.309700    
 H   -1.831900       2.507000     -0.5517000    
 H  -0.5230000       1.960500      -1.666000    
 H   0.5952000      -1.509500      0.7097000    
 H    1.529400       2.626300     -9.1499999E-02
 H   -2.202000      -1.192700       1.586000    
 H   -3.903300       1.195900      -1.576800    
 H    2.965900      -2.063200      0.6637000    
 H    3.904500       2.086600     -0.1514000    
 H   -4.464200      -1.591600       2.490300    
 H   -6.157900      0.7898000     -0.6601000    
 H   -6.446200     -0.6041000       1.371700    
 H    5.315300      -2.392100      0.5934000    
 H    6.490400      -1.644700     -0.4933000    
 H    4.875200      -1.998300      -1.091300    
 H    6.934500      0.1619000      0.8589000    
 H    5.664000       1.190300       1.505900    
 H    6.163300       1.346400     -0.2011000    


%chk=000138664-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000138664

0 1
N -0.767538 -0.915573 -2.649933
N 5.077800 -0.406153 0.238072
C -1.596059 0.513084 -0.579196
C -0.526357 1.018689 0.448851
C -1.169110 2.004023 -0.519894
C 0.925252 0.645873 0.353251
C -2.971146 0.113166 -0.076718
C -1.129283 -0.261150 -1.716781
C 1.354592 -0.684530 0.591821
C 1.921079 1.614317 0.076396
C -3.108370 -0.879532 0.924797
C -4.134834 0.698689 -0.633644
C 2.713741 -1.040390 0.556360
C 3.287798 1.280669 0.035986
C 3.721811 -0.061817 0.276862
C -4.389285 -1.275489 1.369675
C -5.416776 0.303704 -0.190634
C -5.547298 -0.684721 0.812638
C 5.489156 -1.797499 0.456946
C 6.084458 0.614123 -0.074848
H -0.936363 1.045117 1.468403
H -1.913688 2.707258 -0.134731
H -0.559001 2.375832 -1.348319
H 0.608700 -1.464011 0.793190
H 1.622317 2.653536 -0.108497
H -2.210693 -1.340139 1.354072
H -4.032785 1.460765 -1.415202
H 2.990530 -2.083084 0.734749
H 4.016306 2.065722 -0.184883
H -4.484676 -2.043197 2.145640
H -6.310704 0.762309 -0.627811
H -6.541322 -0.991846 1.156454
H 5.196730 -2.160616 1.463671
H 6.585245 -1.872340 0.377554
H 5.046219 -2.483799 -0.294115
H 7.087149 0.158614 -0.054661
H 6.073729 1.442669 0.662759
H 5.930777 1.054228 -1.082181


