%chk=000227133.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227133

0 1
 O   -9.136500       1.284700     -8.1000002E-03
 O   -2.373700      -1.853600     -0.2432000    
 N   -6.317700      0.9389000      0.1819000    
 N    3.153600      -2.120800      0.3086000    
 C   -6.914700       2.256400     -7.7299997E-02
 C   -7.187900     -0.1209000     -0.3461000    
 C   -4.980600      0.8513000     -0.4016000    
 C   -8.313000       2.319600      0.5305000    
 C   -8.580200     -1.6000000E-03  0.2670000    
 C   -4.333800     -0.4833000     -4.5100000E-02
 C   -2.929000     -0.5951000     -0.6219000    
 C   -1.020900      -1.918400     -0.1082000    
 C    1.753800      -2.052500      0.1692000    
 C    4.177600      -1.164600      0.1460000    
 C    4.927600       1.148000      0.2360000    
 C  -0.4533000      -2.809900      0.8021000    
 C  -0.2022000      -1.093700     -0.8796000    
 C    6.216500      0.7393000     -0.1816000    
 C    3.919200      0.1835000      0.3953000    
 C   0.9331000      -2.877000      0.9406000    
 C    1.184100      -1.160800     -0.7411000    
 C    5.445000      -1.566400     -0.2649000    
 C    6.458900     -0.6220000     -0.4280000    
 C    4.685100       2.509100      0.4827000    
 C    7.224800       1.703800     -0.3409000    
 C    5.698600       3.453800      0.3193000    
 C    6.965900       3.052000     -9.1899998E-02
 H   -6.978400       2.439300      -1.158000    
 H   -6.299100       3.047500      0.3658000    
 H   -6.834400      -1.121400     -8.5400000E-02
 H   -7.260500     -5.0400000E-02  -1.439100    
 H   -5.013600      0.9744000      -1.492000    
 H   -4.355000       1.659500     -2.4999999E-03
 H   -8.283600       2.232600       1.623600    
 H   -8.782000       3.278300      0.2874000    
 H   -9.246700     -0.7516000     -0.1710000    
 H   -8.561500     -0.1676000       1.351200    
 H   -4.293700     -0.6162000       1.043700    
 H   -4.889900      -1.340100     -0.4383000    
 H   -2.963500     -0.5347000      -1.715900    
 H   -2.335800      0.2404000     -0.2278000    
 H   -1.086100      -3.454300       1.406100    
 H  -0.6021000     -0.4095000      -1.622100    
 H    3.492900      -3.039300      0.5808000    
 H    2.936500      0.5013000      0.7389000    
 H    1.363100      -3.575300       1.654100    
 H    1.798200     -0.5268000      -1.375000    
 H    5.657900      -2.613800     -0.4634000    
 H    7.442000     -0.9589000     -0.7503000    
 H    3.702000       2.846300      0.8047000    
 H    8.223000       1.412400     -0.6612000    
 H    5.497900       4.503500      0.5132000    
 H    7.754500       3.787900     -0.2189000    


%chk=000227133-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000227133

0 1
O -9.669674 0.906553 -0.288131
O -2.362159 -1.342294 0.490359
N -6.778762 0.815093 0.062577
N 3.245616 -2.047881 0.018904
C -7.476727 2.066382 -0.336902
C -7.537363 -0.367019 -0.425382
C -5.361259 0.820687 -0.373922
C -8.914273 2.068643 0.207416
C -8.978007 -0.329782 0.111217
C -4.532243 -0.319772 0.253343
C -3.041034 -0.154594 -0.051657
C -0.966199 -1.423685 0.333097
C 1.856002 -1.786123 0.136301
C 4.320779 -1.142309 -0.083401
C 5.382136 1.075923 0.135136
C -0.357070 -2.587842 0.863178
C -0.162987 -0.446766 -0.303742
C 6.648985 0.532153 -0.313581
C 4.239216 0.222430 0.247196
C 1.033677 -2.760157 0.773806
C 1.233150 -0.633207 -0.407854
C 5.586409 -1.677723 -0.524450
C 6.710571 -0.866339 -0.628541
C 5.317793 2.471451 0.469540
C 7.787801 1.393249 -0.419651
C 6.446144 3.288332 0.359954
C 7.693353 2.748942 -0.090876
H -7.510890 2.180719 -1.450693
H -6.925296 2.931612 0.078597
H -7.049544 -1.291442 -0.068031
H -7.561960 -0.398334 -1.545214
H -5.275251 0.772262 -1.492535
H -4.928864 1.792782 -0.061955
H -8.890736 2.054092 1.318606
H -9.470669 2.954422 -0.141199
H -9.578557 -1.152938 -0.309888
H -8.961316 -0.407444 1.219891
H -4.690803 -0.323866 1.346645
H -4.851451 -1.304792 -0.133160
H -2.862862 -0.088766 -1.146813
H -2.633289 0.760865 0.427554
H -0.988788 -3.336113 1.351340
H -0.606162 0.454230 -0.737964
H 3.506689 -3.034872 0.038538
H 3.305838 0.645094 0.630329
H 1.494817 -3.655577 1.208710
H 1.829769 0.108855 -0.945324
H 5.649571 -2.741699 -0.787026
H 7.662819 -1.293757 -0.964809
H 4.364697 2.889762 0.815525
H 8.740861 0.971516 -0.762225
H 6.380547 4.351007 0.619643
H 8.569354 3.401341 -0.174175


