%chk=000158823.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158823

1 1
 O   -6.174500      0.5140000     -0.1341000    
 O   -4.761900       2.323200      0.5959000    
 O    5.752900     -0.5482000      2.7000001E-02
 O    4.935600       2.105100     -8.3600000E-02
 N  -0.1877000      -1.658900      7.7399999E-02
 C   -1.142300      -2.793000      0.1624000    
 C   -2.323600      -2.539200     -0.7540000    
 C  -0.6265000     -0.3671000      3.9700001E-02
 C   -2.944700      -1.221100     -0.3867000    
 C   -2.088100     -0.1600000      1.6799999E-02
 C    1.134300      -1.947300      9.2500001E-02
 C   0.3209000      0.6702000     -9.1000004E-03
 C    2.106200     -0.9490000      5.0999999E-02
 C    1.691100      0.3903000     -2.7999999E-03
 C   -4.336200      -1.052400     -0.4730000    
 C   -2.678300       1.069100      0.3712000    
 C   -4.858000      0.1718000     -0.1232000    
 C   -4.052200       1.201800      0.2914000    
 C    3.478000      -1.250600      6.1900001E-02
 C    2.658600       1.408800     -4.9100000E-02
 C    4.428200     -0.2305000      1.6899999E-02
 C    4.018800       1.098400     -3.9200000E-02
 C   -6.106800       1.879800      0.3237000    
 C    6.386500     -0.6450000       1.301100    
 C    5.369600       2.529900      -1.374000    
 H   -1.435100      -2.867500       1.216800    
 H  -0.6339000      -3.716800     -0.1324000    
 H   -3.046400      -3.355500     -0.6465000    
 H   -2.003800      -2.501600      -1.802000    
 H    1.395400      -2.999300      0.1437000    
 H  -3.0000000E-03   1.706900     -6.7000002E-02
 H   -4.982100      -1.861500     -0.7970000    
 H   -2.086300       1.913400      0.7098000    
 H    3.809800      -2.286400      0.1036000    
 H    2.351600       2.452300     -9.1200002E-02
 H   -6.699700       1.972600       1.240800    
 H   -6.542100       2.529500     -0.4443000    
 H    6.332700      0.3108000       1.832000    
 H    7.438300     -0.8979000       1.142300    
 H    5.923000      -1.434900       1.900700    
 H    6.101800       3.331200      -1.242600    
 H    4.526000       2.918000      -1.953700    
 H    5.846900       1.704300      -1.911400    


%chk=000158823-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000158823

1 1
O -6.301831 0.582504 -0.071342
O -4.866717 2.340853 0.714521
O 5.757958 -0.604161 0.017888
O 4.825941 2.186249 -0.135889
N -0.245458 -1.753074 0.011601
C -1.232167 -2.884291 0.076761
C -2.435225 -2.586537 -0.825547
C -0.737794 -0.427889 0.030330
C -3.063302 -1.266380 -0.411773
C -2.197186 -0.221330 0.037982
C 1.089744 -2.029890 -0.014464
C 0.206586 0.609150 0.019966
C 2.066813 -1.014299 -0.013332
C 1.610452 0.366934 0.009871
C -4.465641 -1.074527 -0.484583
C -2.737342 1.043387 0.444516
C -4.965994 0.171625 -0.099610
C -4.114029 1.206894 0.361215
C 3.468295 -1.304842 -0.008611
C 2.579450 1.408920 -0.030817
C 4.402700 -0.271620 -0.004538
C 3.948247 1.115023 -0.081331
C -6.289006 1.994024 0.428655
C 6.543777 -0.110735 1.187188
C 5.872959 2.199932 -1.201562
H -1.557006 -2.984926 1.129255
H -0.711049 -3.806378 -0.226318
H -3.160296 -3.412926 -0.731890
H -2.115010 -2.556725 -1.886070
H 1.367800 -3.087060 -0.030574
H -0.151808 1.640356 -0.009899
H -5.131906 -1.870205 -0.827232
H -2.111946 1.847334 0.837830
H 3.832702 -2.336597 0.024245
H 2.275711 2.459600 -0.063349
H -6.869468 2.044413 1.363071
H -6.671261 2.655099 -0.365493
H 6.442216 0.981463 1.308695
H 7.584711 -0.382213 0.963947
H 6.202359 -0.629928 2.099926
H 6.549691 3.018115 -0.920009
H 5.386334 2.423049 -2.166709
H 6.409997 1.239309 -1.254819


