%chk=000167912.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000167912

0 1
 O   -1.006900      -2.216200     -0.6116000    
 O   -3.587900      -1.488400     -0.6937000    
 O   -2.652800       2.671700       1.056900    
 O    3.231900       2.106000      -1.167800    
 N  -0.9208000       1.189700      0.7759000    
 N   -3.111500      0.5801000      0.2044000    
 N    1.503600      0.9098000     -0.2945000    
 N    3.737800      0.1228000     -0.1510000    
 C  -0.4846000     -0.1786000      0.5494000    
 C   -1.261000     -0.8140000     -0.6126000    
 C    1.000600     -0.1882000      0.3707000    
 C   -2.758900     -0.6383000     -0.3718000    
 C  -0.9110000     -0.2443000      -1.991300    
 C    1.834200      -1.153700      0.7930000    
 C   -2.253100       1.560000      0.7075000    
 C    1.525100      -2.411600       1.533600    
 C    3.261400     -0.9044000      0.4722000    
 C    2.854000       1.097700     -0.5696000    
 H  -0.7412000     -0.7066000       1.477200    
 H  -0.2691000       1.859800       1.174800    
 H   -1.573500     -0.6645000      -2.758200    
 H   -1.019300      0.8442000      -2.032300    
 H   0.1054000     -0.5170000      -2.294000    
 H   -4.106300      0.7786000      0.2657000    
 H   0.8500000       1.621700     -0.6074000    
 H   -1.444600      -2.604300      -1.388600    
 H   0.4610000      -2.528400       1.751800    
 H    2.060100      -2.430200       2.488900    
 H    1.838200      -3.282000      0.9475000    
 H    3.966100      -1.683600      0.8072000    


%chk=000167912-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000167912

0 1
O -0.960486 -2.218829 -0.653434
O -3.593216 -1.492467 -0.778587
O -2.736143 2.619744 1.267375
O 3.336878 2.118677 -1.322688
N -0.939374 1.190923 0.806568
N -3.153608 0.560599 0.239924
N 1.587054 0.912555 -0.362831
N 3.844357 0.078080 -0.219089
C -0.447827 -0.184454 0.547126
C -1.253276 -0.789982 -0.652099
C 1.056947 -0.168869 0.321636
C -2.772040 -0.616320 -0.389897
C -0.929092 -0.167758 -2.029829
C 1.926021 -1.166075 0.766902
C -2.284205 1.540815 0.808998
C 1.485571 -2.401597 1.523493
C 3.319818 -0.957620 0.445445
C 2.984280 1.097556 -0.679614
H -0.651530 -0.846585 1.412057
H -0.343269 1.829512 1.340251
H -1.608772 -0.587640 -2.791206
H -1.046679 0.931030 -2.032631
H 0.103870 -0.424177 -2.315726
H -4.155101 0.764953 0.325816
H 0.963201 1.651856 -0.705037
H -1.777815 -2.683444 -0.989612
H 0.750662 -2.982618 0.941166
H 1.024111 -2.153660 2.499180
H 2.355283 -3.048527 1.730956
H 4.041279 -1.717878 0.777688


