%chk=000005007.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005007

0 1
 N   -2.994800      0.5686000      0.4688000    
 N   -3.368100       1.938600      0.6454000    
 N    2.501400     -0.9261000      0.3982000    
 N    3.159200       1.168300     -0.5850000    
 N    4.751100     -0.4812000     -9.4599999E-02
 C   -1.253000      -1.149900      0.6203000    
 C   -1.556900      0.3622000      0.7382000    
 C   -1.639400      -1.687300     -0.7672000    
 C   0.2072000      -1.453700      0.9829000    
 C  -0.5922000       1.200800     -0.1377000    
 C   -3.103500      -1.367100      -1.062900    
 C   -3.424500      0.1153000     -0.8566000    
 C   0.8342000      0.7424000     -7.8199998E-02
 C    1.212800     -0.5088000      0.3889000    
 C    1.862400       1.535700     -0.5660000    
 C    3.404100     -5.7799999E-02 -9.4499998E-02
 H   -1.875300      -1.686400       1.352400    
 H   -1.370200      0.6355000       1.787700    
 H   -1.491300      -2.773000     -0.8053000    
 H   -1.003800      -1.255000      -1.548600    
 H   0.4580000      -2.483500      0.7010000    
 H   0.3155000      -1.388500       2.073600    
 H  -0.6442000       2.249700      0.1811000    
 H  -0.8905000       1.171900      -1.191700    
 H   -3.344900      -1.658200      -2.091500    
 H   -3.742700      -1.970300     -0.4051000    
 H   -2.968900      0.7072000      -1.659900    
 H   -4.510900      0.2377000     -0.9584000    
 H   -4.382000       2.023600      0.5759000    
 H   -3.136200       2.230400       1.594600    
 H    1.664200       2.522600     -0.9731000    
 H    5.466100      0.1361000     -0.4541000    
 H    4.984400      -1.396200      0.2653000    


%chk=000005007-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000005007

0 1
N -3.008014 0.539039 0.515494
N -3.292998 2.016125 0.647025
N 2.536322 -0.931878 0.413683
N 3.207504 1.220205 -0.545544
N 4.786175 -0.441828 -0.040257
C -1.253657 -1.190892 0.606072
C -1.538000 0.331588 0.724526
C -1.672453 -1.708339 -0.791991
C 0.216849 -1.501198 0.967813
C -0.613819 1.172315 -0.204988
C -3.162916 -1.385291 -1.048649
C -3.463414 0.113544 -0.837527
C 0.838498 0.740549 -0.118027
C 1.228045 -0.533300 0.382349
C 1.894548 1.575663 -0.562849
C 3.468089 -0.042353 -0.056878
H -1.905357 -1.693732 1.348754
H -1.329787 0.630007 1.774510
H -1.508311 -2.801796 -0.847317
H -1.038297 -1.254805 -1.579622
H 0.489584 -2.527154 0.657401
H 0.343837 -1.478913 2.070012
H -0.721878 2.242679 0.045601
H -0.960145 1.080035 -1.253112
H -3.454895 -1.669587 -2.077579
H -3.787532 -1.976249 -0.350860
H -3.001812 0.724890 -1.648481
H -4.557353 0.282865 -0.888470
H -4.316998 2.112084 0.517674
H -3.094397 2.245684 1.638884
H 1.680975 2.580411 -0.950007
H 5.499072 0.196676 -0.381249
H 5.019836 -1.363445 0.317508


