%chk=000101826.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000101826

0 1
 O   -3.037300     -0.1144000      0.2165000    
 O    7.747700      0.5617000       1.140200    
 O   -4.260100      -1.727100       1.313700    
 N   -6.252700       2.038900     -0.8243000    
 C   0.4146000      -1.273300      4.0800001E-02
 C  -0.5905000     -0.1122000     -8.4500000E-02
 C    1.785600     -0.9347000     -0.5525000    
 C    2.368300      0.3019000      0.2022000    
 C    3.805600      0.7076000     -0.3058000    
 C  -4.7200002E-02   1.074700      0.7208000    
 C    1.359100       1.483100      0.2459000    
 C   -1.833200     -0.7894000      0.5245000    
 C  -0.3568000      -2.472200     -0.5052000    
 C    2.751100      -2.121400     -0.4434000    
 C   -1.809100      -2.213300     -6.4900003E-02
 C    4.703200     -0.5358000     -0.3506000    
 C  -0.8806000      0.3382000      -1.539000    
 C    4.122800      -1.768200      -1.003500    
 C    4.395900       1.754600      0.6834000    
 C    3.765500       1.324400      -1.722400    
 C    5.896200       1.954000      0.5367000    
 C    5.957500     -0.5745000      0.1295000    
 C    6.615300      0.6379000      0.6680000    
 C   -4.187800     -0.6909000      0.6716000    
 C   -5.375400      0.1107000      0.2827000    
 C   -6.632800     -0.3067000      0.6479000    
 C   -5.214600       1.263500     -0.4385000    
 C   -7.725900      0.4647000      0.2694000    
 C   -7.484600       1.618200     -0.4592000    
 H   0.5755000      -1.479700       1.112500    
 H    1.669100     -0.6984000      -1.615800    
 H    2.489200     -1.7899999E-02   1.250400    
 H   7.7999998E-03  0.8140000       1.785700    
 H  -0.7251000       1.933700      0.6487000    
 H    1.279000       1.950300     -0.7405000    
 H    1.723800       2.261200      0.9254000    
 H   -1.727500     -0.8414000       1.617400    
 H   1.8400000E-02  -3.419000     -0.1034000    
 H  -0.2927000      -2.526700      -1.597700    
 H    2.356500      -2.981700     -0.9966000    
 H    2.848900      -2.434600      0.6042000    
 H   -2.492000      -2.330700     -0.9139000    
 H   -2.103400      -2.948400      0.6925000    
 H   -1.321900     -0.4605000      -2.143600    
 H   -1.587700       1.175900      -1.548800    
 H   1.6400000E-02  0.6747000      -2.065200    
 H    4.044400      -1.594700      -2.083800    
 H    4.785100      -2.634000     -0.8797000    
 H    4.196500       1.435000       1.715900    
 H    3.903400       2.726400      0.5592000    
 H    3.232700      0.6891000      -2.436800    
 H    3.273600       2.302700      -1.722700    
 H    4.774400       1.475500      -2.124100    
 H    6.248300       2.623200       1.329500    
 H    6.155500       2.402500     -0.4274000    
 H    6.558100      -1.477200      9.1399997E-02
 H   -6.795900      -1.215100       1.219400    
 H   -4.252000       1.647100     -0.7573000    
 H   -8.735000      0.1725000      0.5363000    
 H   -8.303100       2.254700     -0.7787000    


%chk=000101826-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000101826

0 1
O -3.092635 -0.269225 -0.005299
O 7.763279 0.758260 1.410463
O -4.185799 -1.361465 1.746941
N -6.452274 1.912359 -1.081107
C 0.448413 -1.390652 -0.116182
C -0.601799 -0.239284 -0.235345
C 1.844440 -0.999319 -0.640689
C 2.350163 0.246534 0.159697
C 3.799624 0.726744 -0.266440
C -0.108377 0.952602 0.616136
C 1.308629 1.404145 0.171229
C -1.831321 -0.995042 0.326218
C -0.276221 -2.630555 -0.709550
C 2.847284 -2.165363 -0.496189
C -1.778669 -2.416688 -0.312506
C 4.749060 -0.486135 -0.254461
C -0.871270 0.199855 -1.699010
C 4.267114 -1.747957 -0.946689
C 4.290070 1.794921 0.762190
C 3.811758 1.336153 -1.705506
C 5.808278 2.063316 0.713661
C 5.998110 -0.444867 0.312948
C 6.612271 0.774493 0.874724
C -4.199835 -0.542169 0.793845
C -5.392798 0.256407 0.382322
C -6.603174 0.092206 1.102489
C -5.368472 1.176129 -0.699737
C -7.730457 0.845808 0.719172
C -7.609394 1.739295 -0.372119
H 0.571332 -1.582747 0.976152
H 1.765934 -0.743111 -1.718674
H 2.451904 -0.102759 1.214564
H -0.077226 0.648494 1.683673
H -0.809440 1.806805 0.543403
H 1.241986 1.862320 -0.833638
H 1.650698 2.202729 0.854739
H -1.779609 -1.065613 1.429585
H 0.124131 -3.577870 -0.308815
H -0.158286 -2.665372 -1.809053
H 2.513083 -3.034876 -1.093546
H 2.876791 -2.491389 0.564135
H -2.439248 -2.448287 -1.197598
H -2.142855 -3.177649 0.397049
H -1.218660 -0.638693 -2.327327
H -1.658207 0.973668 -1.715954
H 0.029615 0.623055 -2.173424
H 4.242347 -1.565900 -2.042746
H 4.988582 -2.568538 -0.780276
H 4.027861 1.445388 1.781648
H 3.747904 2.744303 0.597574
H 3.420468 0.630982 -2.459501
H 3.200069 2.254599 -1.749933
H 4.840336 1.603877 -2.006613
H 6.119341 2.775927 1.497877
H 6.092907 2.517886 -0.257491
H 6.631184 -1.342060 0.326271
H -6.632331 -0.614441 1.938247
H -4.451234 1.324194 -1.276919
H -8.683009 0.748931 1.248654
H -8.462266 2.344141 -0.700771


