%chk=000039451.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039451

0 1
 N    2.188400     -0.1515000      0.2377000    
 N    3.171100     -3.5500001E-02 -0.6812000    
 N    5.471800      0.1185000      -1.019100    
 N    4.746800     -4.6000001E-03   1.141500    
 C   -1.602100     -1.1400000E-02  0.3450000    
 C  -0.1921000     -6.3400000E-02  0.8554000    
 C   -2.290700      -1.194600      9.0700001E-02
 C   -2.214700       1.219800      0.1267000    
 C   0.8329000     -7.7799998E-02 -0.2813000    
 C   -3.601000      -1.146400     -0.3853000    
 C   -3.525000       1.268200     -0.3491000    
 C   -1.653200      -2.526300      0.3174000    
 C   -1.495500       2.501300      0.3941000    
 C   -4.218200      8.5000001E-02 -0.6052000    
 C    4.381400      1.8600000E-02 -0.1871000    
 H   1.0100000E-02  0.7787000       1.528600    
 H  -4.7100000E-02 -0.9382000       1.501200    
 H   0.7271000      0.8266000     -0.8914000    
 H   0.6547000     -0.9268000     -0.9513000    
 H   -4.156100      -2.058200     -0.5893000    
 H   -4.021600       2.218700     -0.5251000    
 H  -0.7138000      -2.622000     -0.2339000    
 H   -1.475200      -2.692700       1.384700    
 H   -2.299100      -3.341800     -2.8200001E-02
 H  -0.5553000       2.559000     -0.1609000    
 H   -2.092300       3.366200      8.1900001E-02
 H   -1.302000       2.619900       1.465000    
 H   -5.238500      0.1227000     -0.9754000    
 H    2.320700     -0.9893000      0.8031000    
 H    5.360900      0.1493000      -2.026700    
 H    6.416200      0.1626000     -0.6521000    
 H    4.051700     -6.6200003E-02   1.877300    
 H    5.719900      4.3499999E-02   1.422900    


%chk=000039451-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000039451

0 1
N 2.281375 -0.576475 0.658800
N 3.327468 -0.829212 -0.378064
N 5.322889 0.076369 -1.214640
N 4.418674 0.980782 0.786769
C -1.538523 -0.112614 0.414096
C -0.170629 -0.338237 1.046739
C -2.324844 -1.225616 -0.017052
C -2.027698 1.216345 0.221776
C 0.962143 -0.386141 -0.011567
C -3.580346 -0.995094 -0.632676
C -3.287000 1.412964 -0.397827
C -1.850852 -2.658077 0.183351
C -1.232422 2.429682 0.682262
C -4.064035 0.315990 -0.825402
C 4.315826 0.061542 -0.248665
H 0.068880 0.462564 1.769203
H -0.163432 -1.289418 1.614638
H 1.002794 0.565169 -0.571828
H 0.768549 -1.189268 -0.756229
H -4.180047 -1.852394 -0.961675
H -3.657824 2.434898 -0.542969
H -0.858835 -2.836527 -0.271870
H -1.764928 -2.914138 1.257425
H -2.560132 -3.370694 -0.271133
H -0.208883 2.440722 0.264158
H -1.731769 3.363689 0.372712
H -1.130406 2.456202 1.784626
H -5.036134 0.481046 -1.303741
H 2.238045 -1.442604 1.225237
H 5.205657 -0.593466 -1.973558
H 6.270973 0.332654 -0.946911
H 3.600008 0.948660 1.407200
H 4.945655 1.842594 0.667414


