%chk=000056463.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056463

0 1
 O    6.540900      -2.704400     -6.9799997E-02
 O   -2.657400       1.187900       2.407500    
 O   -5.596900      -2.733200      -1.479100    
 N    4.461400     -0.7795000     -0.3380000    
 N    1.298100       1.013200      0.5803000    
 C    3.054700     -0.3980000     -0.4436000    
 C    2.691800      0.5859000      0.6649000    
 C    4.724500      -1.453600      0.9410000    
 C    4.851200      -1.650400      -1.455600    
 C   0.8637000       2.101300     -0.1295000    
 C   0.2574000      0.3844000       1.194900    
 C  -0.5206000       2.166600      4.2599998E-02
 C  -0.8891000       1.077300      0.8806000    
 C    6.195300      -1.852300       1.022900    
 C    6.318700      -2.045600      -1.317200    
 C   0.4456000     -0.8226000       2.029100    
 C    1.572900       3.026500     -0.9037000    
 C   -1.234200       3.205100     -0.5879000    
 C   -2.204300      0.7263000       1.338900    
 C   0.8440000       4.048000      -1.519600    
 C  -0.5380000       4.137800      -1.365500    
 C   -3.114200     -0.2022000      0.5828000    
 C   -2.662300     -0.7347000     -0.5967000    
 C   -4.350500     -0.4696000       1.111000    
 C   -3.506800      -1.595500      -1.298000    
 C   -5.194900      -1.330500      0.4099000    
 C   -4.773100      -1.893400     -0.7947000    
 C   -6.877900      -2.994600     -0.9076000    
 H    2.399900      -1.278200     -0.4101000    
 H    2.879200      8.4899999E-02  -1.413600    
 H    3.320700       1.482800      0.6204000    
 H    2.814800      0.1784000       1.670900    
 H    4.095000      -2.347200       1.041300    
 H    4.543800     -0.8044000       1.801100    
 H    4.712300      -1.130200      -2.410300    
 H    4.229700      -2.555200      -1.467300    
 H    6.853900     -0.9751000       1.025500    
 H    6.380500      -2.407800       1.947900    
 H    6.593700      -2.742800      -2.115100    
 H    6.981300      -1.174900      -1.394500    
 H  -0.5139000      -1.245300       2.344100    
 H   0.9768000      -1.608500       1.483900    
 H    1.007300     -0.5837000       2.938000    
 H    2.647700       2.964600      -1.035300    
 H   -2.311700       3.288300     -0.4776000    
 H    1.364400       4.782400      -2.129100    
 H   -1.083200       4.940700      -1.854600    
 H   -1.685100     -0.5247000      -1.016500    
 H   -4.700500     -4.3699998E-02   2.045800    
 H   -3.172900      -2.031100      -2.235900    
 H   -6.164800      -1.519100      0.8575000    
 H   -6.791200      -3.502100      5.9200000E-02
 H   -7.399200      -3.680800      -1.583000    
 H   -7.484300      -2.084600     -0.8458000    


%chk=000056463-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000056463

0 1
O 7.611806 -1.746004 0.001014
O -2.148678 -0.635643 2.726188
O -6.751450 -1.456041 -1.677558
N 4.944708 -0.591182 -0.085121
N 1.396464 0.579803 0.630413
C 3.471577 -0.552639 -0.203813
C 2.854997 0.481058 0.774259
C 5.417576 -1.360325 1.097622
C 5.613920 -1.089323 -1.317630
C 0.746906 1.352396 -0.353064
C 0.441370 -0.113169 1.382948
C -0.666762 1.131360 -0.221973
C -0.847674 0.184654 0.880258
C 6.946812 -1.252800 1.217607
C 7.139457 -0.978752 -1.164140
C 0.841383 -1.020360 2.509481
C 1.300483 2.234770 -1.305226
C -1.543257 1.864024 -1.066032
C -2.092287 -0.340554 1.478736
C 0.406113 2.931061 -2.143955
C -1.000727 2.750357 -2.018182
C -3.307979 -0.569597 0.628276
C -3.234529 -0.881053 -0.758990
C -4.579994 -0.576567 1.255640
C -4.393814 -1.178906 -1.493083
C -5.755138 -0.853892 0.530914
C -5.660340 -1.157288 -0.853220
C -8.085218 -1.469218 -1.067960
H 3.002154 -1.553177 -0.029129
H 3.211523 -0.252152 -1.235686
H 3.309257 1.468191 0.580075
H 3.086832 0.214484 1.818689
H 5.129682 -2.439088 1.016404
H 4.956339 -0.954194 2.016902
H 5.285003 -0.475932 -2.177609
H 5.346592 -2.154769 -1.529035
H 7.230613 -0.193472 1.397641
H 7.326410 -1.884156 2.037773
H 7.660010 -1.412042 -2.033928
H 7.425097 0.089209 -1.049769
H -0.045895 -1.555158 2.877460
H 1.614599 -1.749770 2.200703
H 1.241137 -0.444632 3.367240
H 2.381748 2.388697 -1.390429
H -2.627213 1.747278 -0.979796
H 0.798136 3.626534 -2.894238
H -1.673757 3.314767 -2.673001
H -2.260943 -0.909624 -1.258202
H -4.624881 -0.368137 2.329791
H -4.348111 -1.434295 -2.555990
H -6.722305 -0.837160 1.042125
H -8.152440 -2.230410 -0.267115
H -8.770956 -1.729577 -1.887211
H -8.350155 -0.474683 -0.660273


