%chk=000047335.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047335

0 1
 N  -0.6241000      -1.259600     -7.8500003E-02
 N    2.104000      0.1316000     -0.6380000    
 C  -4.3600000E-02   1.234300      6.1600000E-02
 C  -0.9995000      0.1130000     -0.4369000    
 C    1.065700     -0.3168000       1.602800    
 C   0.3281000       1.016200       1.527900    
 C   0.1123000      -1.448300       1.169700    
 C    1.259700       1.322600     -0.7655000    
 C    2.353400     -0.2354000      0.7587000    
 C   -2.424400      0.3407000      9.3599997E-02
 C  -0.1982000      -2.099300      -1.183500    
 C   -2.943800       1.697600     -0.3628000    
 C   -3.343300     -0.7811000     -0.3715000    
 C    3.353600      0.2846000      -1.377700    
 H  -0.5073000       2.219300     -3.1800002E-02
 H   -1.051000      0.1986000      -1.532200    
 H    1.357700     -0.4999000       2.644800    
 H  -0.5558000       1.012900       2.174300    
 H   0.9721000       1.829600       1.885200    
 H   0.6553000      -2.402200       1.170400    
 H  -0.6427000      -1.556200       1.960200    
 H   0.9961000       1.473300      -1.819900    
 H    1.817400       2.214300     -0.4472000    
 H    3.029500      0.4944000       1.224700    
 H    2.859200      -1.208200      0.7960000    
 H   -2.439700      0.3292000       1.190500    
 H  -0.9209000      -2.056900      -2.006200    
 H  -0.1555000      -3.149900     -0.8750000    
 H   0.7807000      -1.826300      -1.582000    
 H   -2.758500       1.870600      -1.428300    
 H   -4.026700       1.767100     -0.2056000    
 H   -2.509600       2.522300      0.2094000    
 H   -3.322300     -0.8934000      -1.461200    
 H   -4.380300     -0.5700000     -8.5699998E-02
 H   -3.092800      -1.745700      8.1699997E-02
 H    3.152700      0.4821000      -2.436500    
 H    3.940900     -0.6395000      -1.336900    
 H    3.968800       1.102000     -0.9849000    


%chk=000047335-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000047335

0 1
N -0.558219 -1.268155 -0.097771
N 2.140726 0.096772 -0.610594
C -0.040798 1.229824 -0.005635
C -1.033538 0.097431 -0.446151
C 1.070150 -0.274347 1.634584
C 0.325107 1.074538 1.490920
C 0.091669 -1.416290 1.219093
C 1.272259 1.276627 -0.825476
C 2.381106 -0.209135 0.817456
C -2.491359 0.314383 0.102509
C -0.046438 -2.101484 -1.198153
C -3.042702 1.737991 -0.159612
C -3.438229 -0.740961 -0.515047
C 3.388866 0.170788 -1.386286
H -0.536158 2.204732 -0.171682
H -1.108233 0.140068 -1.554133
H 1.348163 -0.444866 2.695236
H -0.578895 1.092026 2.129358
H 0.972831 1.913677 1.815717
H 0.620185 -2.388174 1.232662
H -0.686959 -1.467623 2.014672
H 1.043619 1.340039 -1.908449
H 1.811545 2.225625 -0.550613
H 3.046600 0.564451 1.291777
H 2.918548 -1.176770 0.875977
H -2.470549 0.145312 1.199824
H -0.774935 -2.096967 -2.031422
H 0.045249 -3.149511 -0.852883
H 0.943455 -1.763423 -1.581337
H -2.935167 2.012264 -1.228145
H -4.120316 1.782162 0.086371
H -2.536097 2.512396 0.444285
H -3.573555 -0.558166 -1.600103
H -4.437400 -0.706904 -0.041534
H -3.014074 -1.750782 -0.380134
H 3.157475 0.299860 -2.459530
H 3.960015 -0.768304 -1.268151
H 4.053251 1.018495 -1.073902


