%chk=000089840.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000089840

0 1
 O   -3.782200     -0.1248000     -0.8311000    
 O   -3.006100       1.593600      0.2931000    
 N  -0.4342000      0.3430000      0.1912000    
 N   -1.567100      -1.566400      0.1367000    
 N   -2.854800      0.4270000     -0.1715000    
 C    1.925900     -0.3903000      0.5854000    
 C    2.686600     -0.3752000     -0.7422000    
 C   0.4553000     -0.6514000      0.3823000    
 C    4.181700     -0.1456000     -0.5213000    
 C  -0.2342000      -1.814600      0.3496000    
 C   -1.653700     -0.2578000      4.6300001E-02
 C    4.448000       1.199700      0.1351000    
 C  -0.1652000       1.762700      0.1465000    
 H    2.060200      0.5360000       1.151900    
 H    2.330700      -1.189200       1.220800    
 H    2.285300      0.4010000      -1.405300    
 H    2.547600      -1.331500      -1.262000    
 H    4.607200     -0.9485000      9.1100000E-02
 H    4.689300     -0.1770000      -1.492300    
 H   0.1363000      -2.822800      0.4642000    
 H    4.141200       1.211400       1.184700    
 H    3.934300       2.010600     -0.3911000    
 H    5.521700       1.414500      0.1143000    
 H  -0.4550000       2.198600       1.105700    
 H   0.8931000       1.949900     -4.0700000E-02
 H  -0.7281000       2.210000     -0.6769000    


%chk=000089840-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000089840

0 1
O -4.066211 -0.303127 -0.238135
O -2.912201 1.670351 -0.387490
N -0.493052 0.332071 0.184068
N -1.641360 -1.650047 0.220335
N -2.977224 0.378572 -0.198428
C 1.921457 -0.459464 0.588884
C 2.666354 -0.219383 -0.759189
C 0.444843 -0.680240 0.428337
C 4.197767 -0.072594 -0.590904
C -0.296130 -1.883149 0.444315
C -1.736823 -0.313550 0.066543
C 4.631629 1.189791 0.188148
C -0.190531 1.775604 0.107943
H 2.120996 0.381353 1.281218
H 2.345169 -1.361595 1.068020
H 2.262336 0.686745 -1.254282
H 2.446664 -1.069427 -1.433813
H 4.598611 -0.975794 -0.087262
H 4.658352 -0.049648 -1.597935
H 0.081642 -2.890553 0.605238
H 4.281670 1.170963 1.236730
H 4.231718 2.105391 -0.288052
H 5.732637 1.279157 0.212455
H -0.812551 2.334790 0.822340
H 0.873760 1.923244 0.344985
H -0.405720 2.163436 -0.899570


