%chk=000022957.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000022957

0 1
 O   -4.300900       2.250700      0.6900000    
 O   -1.647300      -3.492300      0.2485000    
 N   -2.541200      0.3971000     -0.5627000    
 C   -2.628600      0.5052000      0.9003000    
 C   -3.824500      0.7714000      -1.172800    
 C   -2.151900     -0.9541000     -0.9608000    
 C   -3.048400       1.919400       1.291000    
 C   -4.215100       2.179700     -0.7336000    
 C  -0.8109000      -1.340800     -0.3960000    
 C   0.2329000     -0.4270000     -0.4627000    
 C  -0.6281000      -2.591100      0.1797000    
 C    1.481600     -0.7699000      5.6000002E-02
 C   0.6206000      -2.933800      0.6984000    
 C    1.675500      -2.023300      0.6365000    
 C    2.575900      0.1744000     -7.4999998E-03
 C    2.779800       1.077100       1.036300    
 C    3.427200      0.1822000      -1.112400    
 C    3.834900       1.987600      0.9751000    
 C    4.482400       1.092500      -1.173500    
 C    4.686100       1.995100     -0.1297000    
 H   -1.674600      0.3032000       1.397000    
 H   -3.366700     -0.2096000       1.288400    
 H   -4.610100      6.5800004E-02 -0.8724000    
 H   -3.747100      0.7487000      -2.265700    
 H   -2.070600      -1.011600      -2.054400    
 H   -2.930600      -1.668200     -0.6657000    
 H   -3.174400       1.984500       2.376500    
 H   -2.294300       2.660700      0.9994000    
 H   -3.500600       2.929100      -1.095300    
 H   -5.198700       2.437200      -1.139400    
 H   9.2699997E-02  0.5461000     -0.9282000    
 H   0.7857000      -3.906800       1.153500    
 H    2.642400      -2.306500       1.045700    
 H    2.125200       1.084800       1.904800    
 H    3.282400     -0.5145000      -1.934800    
 H   -1.327000      -4.301500      0.6827000    
 H    3.993600       2.690500       1.787700    
 H    5.145400       1.098600      -2.033700    
 H    5.507700       2.703900     -0.1774000    


%chk=000022957-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000022957

0 1
O -4.116506 2.597908 0.759662
O -1.618882 -3.764641 -0.138559
N -2.633280 0.339740 -0.307959
C -2.734906 0.571936 1.156725
C -3.843578 0.857098 -0.994284
C -2.344923 -1.075722 -0.640193
C -2.918357 2.071669 1.435887
C -4.012604 2.354991 -0.689282
C -0.902058 -1.469176 -0.341696
C 0.137581 -0.516212 -0.333910
C -0.564009 -2.827266 -0.105693
C 1.493539 -0.864129 -0.087616
C 0.774993 -3.206898 0.144242
C 1.791823 -2.232007 0.154135
C 2.566152 0.171806 -0.080199
C 2.295676 1.505955 0.334942
C 3.892981 -0.141276 -0.489129
C 3.309270 2.487541 0.341251
C 4.909446 0.837505 -0.478768
C 4.624031 2.159079 -0.063797
H -1.809923 0.212562 1.643951
H -3.596320 0.007393 1.594685
H -4.767300 0.314077 -0.670411
H -3.728345 0.715519 -2.086027
H -2.535838 -1.210969 -1.724190
H -3.030869 -1.782850 -0.116932
H -3.079313 2.262040 2.509824
H -2.019211 2.626284 1.088075
H -3.145341 2.915576 -1.100966
H -4.948250 2.747236 -1.121201
H -0.146095 0.519854 -0.548970
H 1.022620 -4.258389 0.341891
H 2.818825 -2.535639 0.383545
H 1.289349 1.769930 0.679775
H 4.123831 -1.150855 -0.848158
H -1.283401 -4.673886 0.059628
H 3.076034 3.506188 0.671597
H 5.921472 0.572325 -0.805508
H 5.412087 2.920203 -0.057568


