%chk=000096511.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096511

0 1
 O    2.006900       1.168800      0.5684000    
 O   0.1629000      -3.068200      0.2832000    
 O   -3.093200       1.981000     -0.4054000    
 N  -0.3717000      0.9886000      0.1216000    
 C    3.091000      0.2064000      0.6009000    
 C    2.489900      -1.201200      0.7079000    
 C    3.936400      0.3935000     -0.6544000    
 C    1.078300     -0.9080000      0.4229000    
 C   0.8595000      0.4012000      0.3600000    
 C  -1.7300000E-02  -1.859900      0.2291000    
 C   -1.501900      0.1521000     -8.1000000E-02
 C    4.484200       1.819600     -0.7344000    
 C    5.083100     -0.6183000     -0.6945000    
 C   -1.354500      -1.258900     -3.3900000E-02
 C  -0.5577000       2.436100      6.5899998E-02
 C   -2.792400      0.6515000     -0.3321000    
 C   -2.444600      -2.116900     -0.2293000    
 C   -3.880200     -0.2065000     -0.5269000    
 C   -3.706600      -1.585700     -0.4758000    
 C   -3.472400       2.624800      0.8079000    
 H    3.693900      0.4203000       1.492900    
 H    2.599100      -1.592300       1.725400    
 H    2.894500      -1.937100      1.2600000E-02
 H    3.311700      0.2441000      -1.545100    
 H    5.107000       2.054800      0.1355000    
 H    5.098200       1.949300      -1.632100    
 H    3.676400       2.557000     -0.7839000    
 H    5.662600     -0.5995000      0.2350000    
 H    5.770000     -0.3855000      -1.516300    
 H    4.738300      -1.641200     -0.8638000    
 H   -1.024200       2.817300      0.9743000    
 H   -1.040200       2.773800     -0.8558000    
 H   0.4175000       2.940500      3.5799999E-02
 H   -2.328000      -3.196500     -0.1926000    
 H   -4.871100      0.1967000     -0.7213000    
 H   -4.554800      -2.246700     -0.6281000    
 H   -3.011400       2.168100       1.690500    
 H   -4.560600       2.567300      0.9123000    
 H   -3.193000       3.680700      0.7511000    


%chk=000096511-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000096511

0 1
O 2.055270 1.029557 0.176029
O 0.006789 -3.245455 0.031289
O -2.947779 2.156453 0.203880
N -0.330148 0.976292 0.220188
C 3.194299 0.000596 0.257888
C 2.520668 -1.384402 0.010045
C 4.289509 0.411391 -0.739260
C 1.042750 -1.072308 0.107595
C 0.869806 0.299439 0.170189
C -0.080625 -1.965270 0.090019
C -1.517516 0.180528 0.187760
C 4.755568 1.866893 -0.507715
C 5.480111 -0.574087 -0.627698
C -1.405462 -1.253053 0.139596
C -0.292196 2.457419 0.364028
C -2.841048 0.749231 0.194590
C -2.568684 -2.065436 0.123276
C -3.976850 -0.084649 0.183831
C -3.844174 -1.494082 0.151259
C -4.288997 2.742257 0.179025
H 3.567473 0.092485 1.296868
H 2.836539 -2.135082 0.754556
H 2.778988 -1.787445 -0.988657
H 3.855326 0.331928 -1.757104
H 5.205892 1.979728 0.497647
H 5.520084 2.151739 -1.253406
H 3.911351 2.572533 -0.586526
H 5.929406 -0.534717 0.383336
H 6.266766 -0.303558 -1.354522
H 5.178322 -1.617583 -0.828380
H -0.833970 2.767652 1.269445
H -0.755070 2.944903 -0.505932
H 0.762927 2.755535 0.439863
H -2.406832 -3.147258 0.086337
H -4.976827 0.357481 0.196159
H -4.740547 -2.122566 0.142853
H -4.870050 2.461777 1.078902
H -4.843323 2.442421 -0.731331
H -4.122145 3.829812 0.170581


