%chk=000072487.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000072487

0 1
 O   0.2528000       2.087800      0.2012000    
 N    1.141100     -4.8599999E-02  0.2981000    
 N    2.407000      0.4176000      0.3905000    
 N   -3.793900     -0.7742000     -0.1407000    
 C   -1.255300      0.2934000      8.4600002E-02
 C    3.356900     -0.3173000     -0.1030000    
 C   0.1097000      0.8677000      0.2059000    
 C   -2.231200       1.024200     -0.5505000    
 C   -1.503000     -0.9519000      0.6112000    
 C    4.826200      2.9700000E-02 -9.6500002E-02
 C    2.967900      -1.630800     -0.7358000    
 C   -3.486900      0.4450000     -0.6375000    
 C   -2.791400      -1.442500      0.4724000    
 H   -2.051900       2.005100     -0.9753000    
 H  -0.7714000      -1.545900       1.144800    
 H   0.9943000      -1.046100      0.2146000    
 H    5.380200     -0.7461000      0.4383000    
 H    4.979700      0.9909000      0.4007000    
 H    5.188900      9.3599997E-02  -1.125600    
 H    2.216800      -1.489200      -1.518200    
 H    2.614300      -2.332100      2.5599999E-02
 H    3.846300      -2.080400      -1.210500    
 H   -4.305100      0.9634000      -1.126600    
 H   -3.061500      -2.415200      0.8704000    


%chk=000072487-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000072487

0 1
O 0.238508 2.195723 0.240805
N 1.146836 0.044844 -0.063778
N 2.468168 0.488040 0.018397
N -3.940322 -0.734219 -0.045559
C -1.281723 0.314492 0.047212
C 3.420721 -0.395165 -0.204468
C 0.089684 0.953834 0.094732
C -2.374744 1.125993 -0.345583
C -1.551805 -1.029306 0.414717
C 4.840649 0.108258 -0.100496
C 3.191401 -1.861205 -0.552790
C -3.668747 0.564283 -0.383636
C -2.883433 -1.501436 0.353643
H -2.198292 2.174532 -0.602817
H -0.767352 -1.698723 0.786296
H 0.925461 -0.929586 -0.306203
H 5.403707 -0.453643 0.670030
H 4.844590 1.177546 0.161319
H 5.378723 -0.029264 -1.058678
H 2.598408 -1.976556 -1.482825
H 2.654809 -2.396245 0.257331
H 4.151311 -2.377421 -0.708595
H -4.531645 1.164528 -0.692055
H -3.124413 -2.531204 0.641101


