%chk=000006009.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000006009

0 1
 O   0.6350000      -2.008500      0.3333000    
 N   0.3248000       1.431900      4.1200001E-02
 N  -0.2845000      0.1800000      0.2138000    
 N    3.162900     -0.7792000     -0.1850000    
 C    1.681000       1.203200     -0.1795000    
 C    2.005000     -9.4499998E-02 -7.8900002E-02
 C   0.7173000     -0.7962000      0.2137000    
 C   -1.677300     -3.7000000E-02  6.5700002E-02
 C    2.622300       2.330700     -0.4419000    
 C  -0.1217000       2.544000      0.8744000    
 C    4.302200     -0.5171000      0.6985000    
 C    3.278600      -1.984800      -1.010100    
 C   -2.255100      -1.230600      0.5097000    
 C   -2.484000      0.9409000     -0.5247000    
 C   -3.625900      -1.444300      0.3645000    
 C   -3.854800      0.7271000     -0.6698000    
 C   -4.425700     -0.4655000     -0.2251000    
 H    3.616100       1.977600     -0.7340000    
 H    2.735600       2.955800      0.4492000    
 H    2.246700       2.955800      -1.258800    
 H   8.6900003E-02   3.495500      0.3739000    
 H   0.4081000       2.537000       1.834200    
 H   -1.190200       2.521400       1.101700    
 H    4.158900      0.3903000       1.295200    
 H    5.216300     -0.3915000      0.1091000    
 H    4.442500      -1.354800       1.389700    
 H    4.278400      -2.050500      -1.452800    
 H    2.556300      -1.975600      -1.834100    
 H    3.111500      -2.880500     -0.4031000    
 H   -1.673100      -2.004300      0.9998000    
 H   -2.074000       1.866200     -0.9191000    
 H   -4.072000      -2.370000      0.7162000    
 H   -4.476800       1.485300      -1.136600    
 H   -5.492800     -0.6321000     -0.3386000    


%chk=000006009-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000006009

0 1
O 0.670831 -2.017194 0.428939
N 0.330909 1.506741 -0.043812
N -0.207982 0.220403 0.301066
N 3.359652 -0.560167 -0.283984
C 1.718939 1.331799 -0.214053
C 2.055106 -0.008260 -0.089089
C 0.842723 -0.773419 0.248417
C -1.606680 -0.032158 0.175768
C 2.637225 2.485509 -0.478763
C -0.196655 2.661389 0.720903
C 3.973777 -1.098525 0.957546
C 3.442901 -1.512171 -1.423484
C -2.178115 -1.097484 0.919272
C -2.416318 0.743965 -0.695387
C -3.556083 -1.370417 0.791202
C -3.796929 0.470432 -0.796317
C -4.375155 -0.585591 -0.054402
H 3.633538 2.067526 -0.698447
H 2.730049 3.160548 0.393385
H 2.301214 3.089793 -1.341248
H 0.216038 3.583103 0.281540
H 0.081173 2.605210 1.792185
H -1.293496 2.693835 0.637663
H 3.946287 -0.327178 1.746445
H 5.031498 -1.349968 0.755926
H 3.458178 -2.009801 1.334990
H 4.503879 -1.769369 -1.598449
H 3.050435 -1.028093 -2.334207
H 2.871535 -2.449746 -1.246141
H -1.538611 -1.705278 1.563069
H -1.956356 1.524447 -1.310757
H -3.991894 -2.198085 1.361620
H -4.417095 1.072904 -1.469625
H -5.446017 -0.799002 -0.140072


