%chk=000047494.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047494

0 1
 O   0.7275000      -2.399600      0.4442000    
 N    5.762900       1.451500     -0.2814000    
 N   -4.175900       1.817400      8.7899998E-02
 C    2.064700     -0.5018000      0.1064000    
 C    2.186100      0.8401000      0.4676000    
 C    3.171600      -1.194900     -0.3834000    
 C   0.7839000      -1.177500      0.2396000    
 C    4.521000      0.7958000     -0.1512000    
 C    3.414100       1.489000      0.3387000    
 C    4.399700     -0.5462000     -0.5121000    
 C   -2.963600     -0.2521000      3.7400000E-02
 C  -0.4749000     -0.3696000      9.3000002E-02
 C   -1.677600     -0.9567000      0.1813000    
 C   -4.110900     -0.9545000     -0.2668000    
 C   -3.029600       1.110500      0.2055000    
 C   -5.309900     -0.2622000     -0.3961000    
 C   -5.289100       1.110700     -0.2106000    
 H    1.361000       1.407600      0.8874000    
 H    3.096000      -2.239500     -0.6742000    
 H    3.498300       2.532600      0.6309000    
 H    5.254800      -1.096800     -0.8961000    
 H  -0.3769000      0.6800000     -0.1524000    
 H   -1.753800      -2.023800      0.3760000    
 H   -4.099800      -2.031600     -0.4085000    
 H   -2.175900       1.726300      0.4661000    
 H   -6.231400     -0.7807000     -0.6347000    
 H    6.565500      0.9495000     -0.6371000    
 H    5.851400       2.424500     -2.0600000E-02
 H   -6.197700       1.696900     -0.3006000    


%chk=000047494-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000047494

0 1
O 0.682813 -2.336270 -0.354578
N 5.986311 1.309410 0.047861
N -4.438391 1.795985 0.215319
C 2.086981 -0.393038 -0.126557
C 2.270747 1.009230 0.049860
C 3.255209 -1.203217 -0.241889
C 0.759602 -1.067489 -0.197532
C 4.713971 0.755465 -0.008613
C 3.552679 1.577183 0.108526
C 4.539637 -0.652964 -0.185857
C -3.029989 -0.209911 -0.056226
C -0.484647 -0.250101 -0.084297
C -1.712836 -0.850659 -0.147418
C -4.206207 -1.007138 -0.155215
C -3.221675 1.193391 0.130407
C -5.475755 -0.401023 -0.069772
C -5.547431 0.998814 0.114774
H 1.410069 1.678679 0.144363
H 3.109884 -2.280331 -0.376664
H 3.667137 2.659398 0.244782
H 5.421046 -1.299388 -0.277800
H -0.396735 0.832843 0.047853
H -1.701682 -1.943156 -0.283471
H -4.113428 -2.090249 -0.297929
H -2.361112 1.866920 0.216720
H -6.392418 -0.994311 -0.143592
H 6.813326 0.724534 -0.035557
H 6.116900 2.309606 0.172275
H -6.512505 1.512690 0.186426


