%chk=000018717.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000018717

0 1
 N   -2.232100     -0.7112000       1.064300    
 N    4.978300       1.293300      0.2221000    
 C   0.1334000      0.4860000     -0.6121000    
 C    1.171300       1.196200      0.2729000    
 C   0.3139000      -1.021700     -0.5722000    
 C   -1.275700       1.057900     -0.4051000    
 C  -0.1582000      -1.804700      0.4912000    
 C   -2.333300      0.4820000      0.3491000    
 C  -0.9571000      -1.172600       1.590500    
 C    2.588100      0.8546000     -0.1733000    
 C    1.028900      -1.653200      -1.607400    
 C   -1.500000       2.293100      -1.073100    
 C    3.639600       1.588900      0.6519000    
 C   7.3600002E-02  -3.189700      0.4989000    
 C   -3.567400       1.186100      0.3561000    
 C   -3.423300      -1.464700       1.445800    
 C    1.256700      -3.029300      -1.591400    
 C   -2.722900       2.952400      -1.031600    
 C   0.7788000      -3.798200     -0.5370000    
 C   -3.762800       2.393800     -0.3163000    
 C    5.970300       2.061000      0.9767000    
 H   0.3734000      0.7608000      -1.652000    
 H    1.037300       2.283900      0.2101000    
 H    1.050500      0.9408000       1.330000    
 H   -1.118800      -1.901200       2.396100    
 H  -0.4109000     -0.3598000       2.078000    
 H    2.781600     -0.2184000     -6.7900002E-02
 H    2.713500       1.109500      -1.233400    
 H    1.420000      -1.073000      -2.440200    
 H  -0.6976000       2.752100      -1.649600    
 H    3.516900       1.311000       1.706100    
 H    3.450200       2.667400      0.5776000    
 H  -0.3011000      -3.805400       1.313000    
 H   -4.419100      0.8083000      0.9194000    
 H   -3.168600      -2.494600       1.721300    
 H   -4.134400      -1.536300      0.6151000    
 H   -3.913600      -1.003600       2.309500    
 H    1.809100      -3.497700      -2.400600    
 H   -2.857200       3.892500      -1.556900    
 H   0.9525000      -4.870000     -0.5210000    
 H   -4.726300       2.892300     -0.2700000    
 H    5.081200       1.501700     -0.7706000    
 H    5.838200       3.137800      0.8300000    
 H    6.973900       1.792900      0.6325000    
 H    5.915000       1.833000       2.046000    


%chk=000018717-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000018717

0 1
N -2.245429 -0.679699 1.125855
N 5.059772 1.447708 0.253555
C 0.140722 0.455745 -0.640859
C 1.203676 1.157366 0.283345
C 0.282592 -1.067474 -0.629136
C -1.277478 1.040687 -0.431822
C -0.157796 -1.853116 0.472780
C -2.357012 0.493378 0.355229
C -0.932070 -1.170349 1.588288
C 2.663132 0.916814 -0.159487
C 0.917768 -1.721622 -1.712627
C -1.524531 2.245168 -1.142246
C 3.675957 1.678982 0.717159
C 0.060240 -3.249788 0.480127
C -3.619080 1.173438 0.339159
C -3.442614 -1.397522 1.576324
C 1.131519 -3.119476 -1.706999
C -2.764041 2.916045 -1.136968
C 0.707113 -3.889644 -0.602070
C -3.824066 2.356715 -0.390574
C 6.097633 2.119114 1.056136
H 0.421439 0.771505 -1.666467
H 0.985800 2.243953 0.271448
H 1.082073 0.829286 1.333834
H -1.101577 -1.874238 2.421564
H -0.358363 -0.321095 2.006381
H 2.910633 -0.159837 -0.128531
H 2.780365 1.240638 -1.217334
H 1.252946 -1.127639 -2.571881
H -0.706265 2.655150 -1.749919
H 3.603320 1.316571 1.762853
H 3.402924 2.767167 0.739880
H -0.281237 -3.842238 1.338676
H -4.444410 0.779493 0.939186
H -3.169123 -2.437209 1.825317
H -4.200077 -1.439186 0.772202
H -3.917507 -0.942878 2.474106
H 1.627917 -3.600672 -2.557089
H -2.901246 3.837173 -1.712412
H 0.873655 -4.972469 -0.584588
H -4.806331 2.842741 -0.366131
H 5.154918 1.651873 -0.750442
H 5.970237 3.227111 1.145144
H 7.093109 1.922013 0.619872
H 6.096595 1.704317 2.081664


