%chk=000114184.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000114184

0 1
 O    5.863700       1.568200     -0.2857000    
 O   -5.164100       1.013300      0.2224000    
 O   -5.014800      -1.230700     -0.2924000    
 N   -1.011400     -0.5603000      -1.569500    
 C    1.756200      -1.234600     -0.2967000    
 C   0.4039000      -1.056800      0.3971000    
 C  -0.2229000      4.2199999E-02 -0.4978000    
 C    1.384500      -1.649100      -1.802500    
 C    2.523100      -2.378300      0.4101000    
 C   0.4914000     -0.8362000       1.918600    
 C    2.471400      0.1741000     -0.1971000    
 C   0.1564000       1.418000      3.2000002E-02
 C  -0.1963000      -1.714900      -2.110300    
 C    2.627800      -2.189200       1.927500    
 C    1.258200      -1.985700       2.573500    
 C    1.718700       1.400100      3.2200001E-02
 C   -2.345700     -0.9547000      -1.149900    
 C    3.863400      0.2686000     -0.3228000    
 C    2.389800       2.617500      0.1882000    
 C   -3.126000      0.2590000     -0.6536000    
 C    4.507100       1.500300     -0.1742000    
 C    3.778700       2.661400      9.0599999E-02
 C   -4.531100     -0.1087000     -0.2328000    
 C   -6.513200      0.8244000      0.6615000    
 C   -7.069000       2.151700       1.131600    
 H  -0.1686000      -1.992000      0.3220000    
 H   0.4393000      0.2914000      -1.340000    
 H    1.805500      -2.634200      -2.038100    
 H    1.846200     -0.9444000      -2.506800    
 H    3.524000      -2.511600     -1.3800000E-02
 H    1.996600      -3.325700      0.2285000    
 H  -0.5202000     -0.7834000       2.338000    
 H   0.9905000      9.7099997E-02   2.193600    
 H  -0.2429000       1.617200       1.030500    
 H  -0.2025000       2.206900     -0.6413000    
 H  -0.3374000      -1.756100      -3.196300    
 H  -0.5672000      -2.667200      -1.708400    
 H    3.271800      -1.332700       2.157300    
 H    3.109000      -3.069500       2.369300    
 H   0.6743000      -2.910300       2.487300    
 H    1.379900      -1.786100       3.644100    
 H   -2.321000      -1.724900     -0.3689000    
 H   -2.877100      -1.392700      -2.004300    
 H    4.464900     -0.6110000     -0.5316000    
 H    1.835000       3.535100      0.3635000    
 H   -3.195200       1.012900      -1.446700    
 H   -2.641500      0.7030000      0.2229000    
 H    4.285700       3.616100      0.2069000    
 H    6.145800       2.489900     -0.1555000    
 H   -7.117500      0.4433000     -0.1692000    
 H   -6.531200      0.1027000       1.485800    
 H   -8.101500       2.043700       1.475200    
 H   -6.464000       2.554500       1.950600    
 H   -7.040800       2.889500      0.3229000    


%chk=000114184-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000114184

0 1
O 5.971361 1.450977 -0.248490
O -5.260574 1.010713 0.275693
O -5.229767 -1.149759 -0.596346
N -1.043586 -0.543702 -1.589816
C 1.790250 -1.253956 -0.304771
C 0.430143 -1.025036 0.385369
C -0.081074 0.060867 -0.629255
C 1.355787 -1.688323 -1.806459
C 2.605013 -2.367081 0.404430
C 0.523118 -0.774570 1.905407
C 2.480561 0.174311 -0.207887
C 0.163724 1.450990 -0.028220
C -0.215175 -1.751752 -2.093664
C 2.693178 -2.138413 1.935558
C 1.289200 -1.951499 2.566739
C 1.730305 1.402912 0.043253
C -2.372598 -0.957713 -1.087716
C 3.886231 0.263567 -0.296181
C 2.441768 2.608116 0.219335
C -3.213223 0.283554 -0.742201
C 4.567067 1.490661 -0.130520
C 3.851390 2.674508 0.145731
C -4.640934 -0.067142 -0.366048
C -6.695588 0.813758 0.651342
C -7.167480 2.117874 1.285807
H -0.182958 -1.942116 0.278832
H 0.711022 0.166109 -1.381856
H 1.739988 -2.709566 -2.002630
H 1.844998 -1.028632 -2.547667
H 3.616616 -2.481263 -0.031229
H 2.080017 -3.327415 0.218362
H -0.492760 -0.688322 2.339940
H 1.056193 0.165887 2.135592
H -0.293475 1.632023 0.962680
H -0.142475 2.270922 -0.705848
H -0.364764 -1.847507 -3.186321
H -0.609311 -2.682722 -1.629208
H 3.308681 -1.240996 2.142135
H 3.209212 -2.996369 2.408870
H 0.706185 -2.888359 2.442545
H 1.385856 -1.777088 3.655980
H -2.311453 -1.630476 -0.195030
H -2.887089 -1.531617 -1.879410
H 4.493073 -0.626782 -0.485708
H 1.876381 3.530520 0.399859
H -3.237069 0.954626 -1.623602
H -2.758025 0.868880 0.076491
H 4.371696 3.631081 0.284022
H 6.357979 2.351982 -0.117068
H -7.262257 0.555921 -0.261865
H -6.757573 -0.043860 1.345607
H -8.228816 2.028426 1.581558
H -6.575065 2.356657 2.185662
H -7.074201 2.957300 0.575718


