%chk=000097781.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000097781

0 1
 O    3.965400      -1.119500     -0.1125000    
 O    4.555300       1.083300      0.2338000    
 N  -3.7400000E-02  6.7900002E-02 -0.1287000    
 C    2.348800      0.5188000     -0.6280000    
 C    1.338100     -0.1885000      0.2832000    
 C  -0.9786000     -0.5774000      0.7753000    
 C    2.122000       2.029600     -0.7030000    
 C   -2.407100     -0.3206000      0.3747000    
 C    3.753400      0.2300000     -0.1230000    
 C   -3.070800      0.7871000      0.8835000    
 C   -3.039900      -1.194800     -0.4980000    
 C   -4.394100       1.025300      0.5123000    
 C   -4.363200     -0.9564000     -0.8692000    
 C   -5.040200      0.1537000     -0.3641000    
 C    5.248300      -1.538500      0.3636000    
 H    2.284400      0.1182000      -1.648100    
 H    1.521400      -1.270200      0.2765000    
 H    1.488500      0.1542000       1.315600    
 H  -0.1741000     -0.2800000      -1.077800    
 H  -0.8296000     -0.2175000       1.801900    
 H  -0.8047000      -1.661300      0.8049000    
 H    2.898300       2.511500      -1.308000    
 H    2.148400       2.485900      0.2929000    
 H    1.156700       2.266900      -1.161600    
 H   -2.576400       1.473500       1.565200    
 H   -2.521300      -2.061200     -0.8986000    
 H   -4.921200       1.889900      0.9050000    
 H   -4.866400      -1.634800      -1.552100    
 H   -6.070500      0.3393000     -0.6535000    
 H    5.287100      -2.630100      0.3203000    
 H    5.388100      -1.223100       1.402000    
 H    6.039800      -1.133200     -0.2740000    


%chk=000097781-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000097781

0 1
O 4.511341 -0.510031 -0.849104
O 4.121948 0.014628 1.386391
N -0.098132 -0.234200 0.032933
C 2.313165 0.313207 -0.276121
C 1.260519 -0.472556 0.555419
C -1.192680 -0.753949 0.883385
C 2.109612 1.844911 -0.147254
C -2.565456 -0.376288 0.336727
C 3.708015 -0.061234 0.206120
C -2.801518 0.920970 -0.186809
C -3.634198 -1.306076 0.368088
C -4.081881 1.281150 -0.661651
C -4.918469 -0.946629 -0.102705
C -5.146355 0.349356 -0.619384
C 5.903079 -0.876190 -0.483844
H 2.233036 0.018952 -1.339379
H 1.539044 -1.555722 0.570350
H 1.302038 -0.119050 1.603104
H -0.198609 -0.553152 -0.941185
H -1.058434 -0.308176 1.890924
H -1.149911 -1.862164 1.027022
H 2.779521 2.398800 -0.828769
H 2.313217 2.172444 0.888052
H 1.062417 2.087537 -0.393419
H -1.968303 1.631076 -0.220945
H -3.461453 -2.315746 0.761982
H -4.251699 2.287140 -1.062682
H -5.735528 -1.676512 -0.071507
H -6.139974 0.629105 -0.987507
H 6.362601 -1.207614 -1.425413
H 5.900659 -1.684766 0.266283
H 6.430891 -0.001222 -0.068601


