%chk=000031055.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031055

0 1
 O    1.396000     -0.8919000       2.592000    
 O   0.9134000       3.161500      0.2273000    
 O   -2.143300      -4.936900     -0.9715000    
 N  -0.1619000     -9.5700003E-02  0.9772000    
 N  -0.3680000       1.158100      0.3520000    
 C    1.553000       1.327000       1.657500    
 C    2.994100       1.214000       1.194100    
 C    3.099800      0.4509000     -0.1259000    
 C   0.9281000     -3.3100002E-02   1.858900    
 C   0.7019000       2.024500      0.6226000    
 C    4.549700      0.3685000     -0.6063000    
 C  -0.6690000      -1.334400      0.4793000    
 C   -1.633700       1.624700     -0.1160000    
 C    4.659700     -0.4235000      -1.909000    
 C    6.103500     -0.5361000      -2.372000    
 C  -0.5698000      -2.494100       1.250900    
 C   -1.265600      -1.390300     -0.7822000    
 C   -1.709700       2.781100     -0.8954000    
 C   -2.800200      0.9270000      0.2045000    
 C   -1.064800      -3.703800      0.7636000    
 C   -1.760600      -2.599800      -1.269600    
 C   -2.946100       3.237300      -1.352300    
 C   -4.036600       1.383300     -0.2523000    
 C   -1.660100      -3.756600     -0.4967000    
 C   -4.109600       2.538500      -1.030700    
 H    1.479100       1.881200       2.599600    
 H    3.592100      0.7036000       1.959200    
 H    3.421200       2.216800       1.069600    
 H    2.712100     -0.5681000     -1.1300000E-02
 H    2.504100      0.9380000     -0.9063000    
 H    4.946900       1.379800     -0.7555000    
 H    5.164600     -0.1098000      0.1659000    
 H    4.249100      -1.430300      -1.769400    
 H    4.066600      6.3100003E-02  -2.691800    
 H    6.536300      0.4533000      -2.550800    
 H    6.158700      -1.104900      -3.305500    
 H    6.716500      -1.049700      -1.624500    
 H  -0.1640000      -2.502300       2.255600    
 H   -1.294900     -0.5445000      -1.460700    
 H  -0.8353000       3.335000      -1.216000    
 H   -2.811900      7.1900003E-02  0.8719000    
 H  -0.9941000      -4.599800       1.374300    
 H   -2.206100      -2.632000      -2.260400    
 H   -3.002800       4.130900      -1.967000    
 H   -4.944800      0.8496000      1.2400000E-02
 H   -5.072500       2.894700      -1.385000    
 H   -2.521200      -4.789900      -1.855600    


%chk=000031055-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000031055

0 1
O 1.423834 -1.096140 2.423032
O 0.784765 3.194557 0.247424
O -2.473737 -4.931187 -0.978464
N -0.217387 -0.133631 1.011428
N -0.400992 1.141865 0.347895
C 1.603322 1.267485 1.617426
C 3.081756 1.184536 1.145795
C 3.270471 0.459641 -0.204733
C 0.967385 -0.112776 1.787388
C 0.676667 2.011282 0.655509
C 4.754407 0.394169 -0.629447
C -0.815842 -1.326867 0.472365
C -1.711109 1.567053 -0.066008
C 4.966426 -0.322856 -1.982465
C 6.451281 -0.387458 -2.400641
C -1.068050 -2.418469 1.341997
C -1.115643 -1.434916 -0.906748
C -1.818967 2.537234 -1.094314
C -2.874053 1.048738 0.557771
C -1.609613 -3.612216 0.831800
C -1.676919 -2.624347 -1.412853
C -3.097085 2.989290 -1.486588
C -4.144177 1.499949 0.141751
C -1.920220 -3.715443 -0.543870
C -4.264005 2.471571 -0.878666
H 1.579681 1.810509 2.582936
H 3.655975 0.662260 1.934348
H 3.467494 2.219260 1.074887
H 2.867525 -0.571304 -0.134617
H 2.690191 0.982285 -0.992862
H 5.165376 1.423468 -0.692614
H 5.338244 -0.128656 0.156545
H 4.553505 -1.350085 -1.918026
H 4.381865 0.199993 -2.766971
H 6.880157 0.627912 -2.497956
H 6.577357 -0.902058 -3.370939
H 7.050984 -0.933483 -1.648096
H -0.819752 -2.336811 2.402301
H -0.918118 -0.597755 -1.581755
H -0.916547 2.941625 -1.557546
H -2.787009 0.307486 1.356892
H -1.801063 -4.468158 1.484748
H -1.917368 -2.697727 -2.481094
H -3.177478 3.745792 -2.274691
H -5.040819 1.094400 0.622896
H -5.252808 2.820540 -1.194744
H -2.650007 -4.913756 -1.951727


