%chk=000100249.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100249

0 1
 O   -2.811100       2.777600      -1.020800    
 O    3.083500       2.176000      2.4200000E-02
 O    4.917100      0.3534000       1.045400    
 O   -4.683900       1.887400      0.7964000    
 N  -0.9158000      -2.964300     -0.1593000    
 C  -0.8558000      -1.682600     -0.7057000    
 C   0.3052000      -1.474100      -1.644400    
 C   -1.792300     -0.7465000     -0.3739000    
 C   -2.848800      -1.169900      0.5892000    
 C    1.529600     -0.9849000     -0.9294000    
 C   -1.820100      0.6086000     -0.9045000    
 C   -2.860500      -2.529700       1.130200    
 C   -1.888300      -3.358400      0.7241000    
 C   -3.795600     -0.2930000      0.9647000    
 C    1.741800      0.3815000     -0.7823000    
 C    2.442700      -1.902100     -0.4208000    
 C   -2.760700       1.488500     -0.5355000    
 C   -3.817200       1.096400      0.4374000    
 C    2.881000      0.8363000     -0.1183000    
 C    3.581900      -1.447400      0.2432000    
 C    3.801100     -7.8100003E-02  0.3945000    
 C   -2.061700       3.653700     -0.2009000    
 C    2.545400       2.792100       1.192500    
 C    6.082300      0.5794000      0.2542000    
 H   4.4199999E-02 -0.7806000      -2.453200    
 H   0.5349000      -2.407800      -2.177100    
 H  -0.2066000      -3.638600     -0.4202000    
 H   -1.087400      0.9158000      -1.639600    
 H   -3.625100      -2.846700       1.829200    
 H   -1.803000      -4.383100       1.061900    
 H   -4.582300     -0.5566000       1.665200    
 H    1.049200       1.108100      -1.192600    
 H    2.283900      -2.971100     -0.5327000    
 H    4.294100      -2.165500      0.6407000    
 H   -1.000600       3.379900     -0.1936000    
 H   -2.450400       3.676000      0.8232000    
 H   -2.145400       4.663200     -0.6147000    
 H    1.456000       2.687100       1.213800    
 H    2.983100       2.354700       2.095400    
 H    2.793800       3.856600       1.163800    
 H    5.892500       1.349400     -0.5003000    
 H    6.403800     -0.3489000     -0.2285000    
 H    6.882300      0.9261000      0.9140000    


%chk=000100249-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100249

0 1
O -4.167787 2.381272 -2.164171
O 4.671774 1.135930 1.598422
O 5.791692 -1.280061 0.355968
O -6.199816 0.930583 -0.576238
N -0.334728 -1.227566 0.857474
C -0.711988 -0.245189 -0.042088
C 0.395881 0.441537 -0.841271
C -2.075779 0.075590 -0.186292
C -3.079345 -0.637788 0.620343
C 1.812244 -0.009707 -0.507321
C -2.535302 1.085595 -1.096870
C -2.596431 -1.649573 1.534382
C -1.248916 -1.927554 1.639515
C -4.434811 -0.325646 0.478288
C 2.612823 0.731691 0.396733
C 2.354140 -1.192162 -1.079520
C -3.886503 1.391918 -1.230789
C -4.939568 0.675606 -0.439471
C 3.927058 0.325818 0.714631
C 3.674376 -1.595504 -0.783301
C 4.477751 -0.834624 0.093520
C -5.522920 2.952568 -2.342516
C 5.135501 0.463554 2.836595
C 6.861953 -0.346881 -0.076133
H 0.305591 1.532923 -0.684485
H 0.194590 0.273878 -1.917532
H 0.665639 -1.437979 0.927759
H -1.830220 1.648096 -1.716566
H -3.306882 -2.205356 2.152676
H -0.835597 -2.681141 2.312141
H -5.189578 -0.856964 1.069250
H 2.229639 1.639643 0.875379
H 1.752647 -1.781568 -1.781412
H 4.113193 -2.488199 -1.240170
H -5.903434 3.372601 -1.397974
H -6.231233 2.190382 -2.698799
H -5.367732 3.744142 -3.093983
H 4.265912 0.174967 3.456622
H 5.742768 -0.428909 2.602782
H 5.738439 1.216158 3.366099
H 6.743607 0.642424 0.400932
H 6.843864 -0.237225 -1.176519
H 7.804287 -0.819378 0.238811


