%chk=000155015.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000155015

0 1
 O   -4.347200       1.826300     -0.2005000    
 O   -4.683200     -0.4123000      0.1877000    
 O    4.125700      -1.328800     -0.5518000    
 O    2.873100      -2.824800      0.5511000    
 N   -2.564600      0.5284000      0.1578000    
 N    1.940500     -0.7072000     -1.9400001E-02
 C   -1.803300     -0.6779000      0.4304000    
 C   -2.125100      -1.737100     -0.6594000    
 C  -0.3355000     -0.2930000      0.4586000    
 C   -2.186000      -1.208500       1.821500    
 C   0.6237000      -1.064400     -8.1600003E-02
 C  -0.9766000      -2.647600     -0.9929000    
 C   0.2938000      -2.320100     -0.7185000    
 C   -3.933700      0.5504000      6.1400000E-02
 C    2.310500      0.7054000     -2.3200000E-02
 C    2.956600      -1.706900      4.9400002E-02
 C    1.491400       1.571800     -0.6846000    
 C    3.450600       1.062400      0.6340000    
 C    1.845100       2.921000     -0.6888000    
 C    3.804200       2.411700      0.6297000    
 C    3.001600       3.341100     -3.1599998E-02
 C   -5.761500       2.010100     -0.3294000    
 H   -2.427800      -1.252300      -1.597800    
 H   -2.975600      -2.356900     -0.3488000    
 H  -0.1005000      0.5947000       1.042300    
 H   -3.231200      -1.529400       1.877800    
 H   -1.571600      -2.073300       2.099500    
 H   -2.044500     -0.4416000       2.593300    
 H   -2.073800       1.408800      2.7000001E-02
 H   -1.193600      -3.574800      -1.514500    
 H    1.065400      -3.004700      -1.050400    
 H   0.6264000       1.283700      -1.271800    
 H    4.069100      0.3737000       1.199000    
 H    1.229300       3.642800      -1.217700    
 H    4.699000       2.740700       1.150300    
 H    3.277700       4.391500     -3.6200002E-02
 H    4.804800      -2.034600     -0.4998000    
 H   -6.264800       1.739700      0.6036000    
 H   -6.145700       1.415400      -1.163500    
 H   -5.949200       3.067100     -0.5361000    


%chk=000155015-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000155015

0 1
O -4.367838 1.951221 0.198713
O -4.771810 -0.368047 0.352499
O 4.299438 -1.187862 0.098621
O 2.821178 -2.961608 0.423333
N -2.592484 0.541139 0.293309
N 2.029037 -0.779701 -0.053697
C -1.807221 -0.725318 0.363399
C -2.128217 -1.619303 -0.875019
C -0.331872 -0.336236 0.387307
C -2.134343 -1.482734 1.684870
C 0.629846 -1.160587 -0.129228
C -1.038649 -2.627132 -1.174740
C 0.263267 -2.406351 -0.835365
C -3.964259 0.596904 0.290076
C 2.363936 0.634311 -0.142051
C 3.008167 -1.741755 0.180019
C 2.082721 1.336790 -1.336784
C 2.929017 1.306240 0.965455
C 2.370837 2.716043 -1.421809
C 3.222502 2.684764 0.872167
C 2.942137 3.394039 -0.318640
C -5.829849 2.154921 0.189785
H -2.254065 -0.964988 -1.765916
H -3.104438 -2.109995 -0.716191
H -0.054499 0.572253 0.936130
H -3.215165 -1.698434 1.739423
H -1.572824 -2.432450 1.714337
H -1.843854 -0.874485 2.559402
H -2.094273 1.426119 0.185362
H -1.310253 -3.526943 -1.740339
H 1.046096 -3.126362 -1.080606
H 1.646103 0.801715 -2.186419
H 3.148448 0.749485 1.881994
H 2.158529 3.257983 -2.349857
H 3.665860 3.203635 1.728978
H 3.168568 4.463551 -0.388021
H 4.943882 -1.924173 0.264937
H -6.277439 1.793224 1.131304
H -6.292369 1.618838 -0.656462
H -5.960347 3.241788 0.085823


