%chk=000161358.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000161358

0 1
 O   -3.827000      0.2297000      -1.064300    
 O   0.8686000      -2.208600      8.6400002E-02
 O   -3.477800     -1.6700000E-02   1.212900    
 O    4.624900      0.3634000     -0.6343000    
 N   0.7411000      9.2799999E-02  0.4567000    
 N    2.738300     -0.9262000     -0.2712000    
 N   -5.235700      0.1549000     -0.7119000    
 C  -0.6598000      3.7400000E-02  0.8574000    
 C   -1.605800      0.2085000     -0.3245000    
 C    1.396200      -1.094400      9.4800003E-02
 C    1.388900       1.310900      0.4430000    
 C    2.668300       1.455400      9.1700003E-02
 C   -3.066600      0.1280000      6.9300003E-02
 C    3.446500      0.2650000     -0.3060000    
 H  -0.8519000     -0.9289000       1.340500    
 H  -0.8490000      0.8031000       1.620600    
 H   -1.435500       1.182600     -0.7977000    
 H   -1.410100     -0.5738000      -1.067300    
 H   0.8001000       2.173900      0.7350000    
 H    3.243800      -1.766000     -0.5394000    
 H    3.156000       2.422300      8.7399997E-02
 H   -5.580800       1.013400      -1.138700    
 H   -5.538200     -0.6102000      -1.312900    


%chk=000161358-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000161358

0 1
O -3.900220 -0.308871 -1.011319
O 0.713606 -2.143979 -0.219307
O -3.468686 1.030259 0.843625
O 4.749720 0.213299 -0.534495
N 0.733066 0.116609 0.430191
N 2.713254 -0.922623 -0.348951
N -5.345426 -0.211447 -0.630777
C -0.709725 0.041052 0.755108
C -1.594495 0.135127 -0.512796
C 1.349922 -1.066695 -0.061517
C 1.450903 1.302055 0.579586
C 2.786732 1.408933 0.279051
C -3.043615 0.353871 -0.125828
C 3.526692 0.251419 -0.223402
H -0.897307 -0.919465 1.262759
H -0.958325 0.860690 1.449594
H -1.274143 1.000384 -1.126124
H -1.496563 -0.772616 -1.128580
H 0.876933 2.150788 0.962694
H 3.181604 -1.765061 -0.698980
H 3.326475 2.346614 0.411633
H -5.395864 0.537030 0.093408
H -5.790036 0.079124 -1.518072


