%chk=000096554.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096554

0 1
 O   -1.285300      0.5653000      -2.062100    
 N   0.1046000      0.1533000       1.164800    
 N   0.7743000      0.3466000      -1.013900    
 C    1.291000      8.1299998E-02  0.3011000    
 C   -1.116200      7.2899997E-02  0.3363000    
 C    1.947200      -1.310100      0.3707000    
 C    2.277900       1.175000      0.7412000    
 C   -2.091700       1.155100      0.8238000    
 C   -1.730800      -1.336600      0.4100000    
 C  -0.6045000      0.3681000      -1.067100    
 C    3.269700      -1.366200     -0.3968000    
 C    3.602300       1.109000     -2.2000000E-02
 C   -3.487000       1.041200      0.2085000    
 C   -3.123600      -1.416100     -0.2163000    
 C    4.233400     -0.2769000      6.2399998E-02
 C   -4.061300     -0.3620000      0.3593000    
 H   0.1095000       1.039300       1.670200    
 H    1.277900      -2.081800     -2.8300000E-02
 H    2.141700      -1.573000       1.419300    
 H    2.495200       1.071100       1.813300    
 H    1.843100       2.173600      0.6014000    
 H   -1.697600       2.157700      0.6110000    
 H   -2.202900       1.086300       1.915200    
 H   -1.809200      -1.645700       1.461200    
 H   -1.085900      -2.072200     -8.5500002E-02
 H    1.358000      0.4886000      -1.832300    
 H    3.080300      -1.260100      -1.471700    
 H    3.733200      -2.349000     -0.2536000    
 H    4.296300       1.852800      0.3862000    
 H    3.439400       1.374500      -1.073400    
 H   -3.452800       1.311800     -0.8528000    
 H   -4.156300       1.763200      0.6908000    
 H   -3.543900      -2.413200     -4.0899999E-02
 H   -3.053400      -1.293400      -1.303200    
 H    4.539900     -0.4747000       1.097000    
 H    5.141800     -0.3062000     -0.5498000    
 H   -4.240000     -0.5719000       1.421100    
 H   -5.032800     -0.4183000     -0.1445000    


%chk=000096554-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000096554

0 1
O -1.313589 0.494611 -2.110462
N 0.111239 0.139454 1.221804
N 0.757982 0.382252 -0.996592
C 1.327322 0.098484 0.351968
C -1.136724 0.073944 0.384557
C 1.999439 -1.303724 0.389437
C 2.348915 1.185144 0.775697
C -2.150014 1.155552 0.853541
C -1.789230 -1.340018 0.478115
C -0.624469 0.345578 -1.059416
C 3.299229 -1.366056 -0.446944
C 3.659785 1.127989 -0.045494
C -3.526351 1.054796 0.153186
C -3.158651 -1.431396 -0.234065
C 4.303053 -0.278391 0.003650
C -4.134243 -0.358969 0.303614
H 0.113626 0.982921 1.814243
H 1.269241 -2.059390 0.046187
H 2.222460 -1.529268 1.450002
H 2.582295 1.025647 1.848564
H 1.873158 2.180475 0.677363
H -1.714396 2.162757 0.694136
H -2.285333 1.022036 1.948732
H -1.905275 -1.558450 1.558450
H -1.089295 -2.097233 0.075264
H 1.325766 0.460771 -1.841095
H 3.064180 -1.232146 -1.523905
H 3.753620 -2.370549 -0.352715
H 4.366425 1.889226 0.336239
H 3.450704 1.401944 -1.100808
H -3.400367 1.282666 -0.921347
H -4.207395 1.816799 0.579970
H -3.580168 -2.445084 -0.088321
H -3.020202 -1.282255 -1.321502
H 4.628028 -0.494077 1.042278
H 5.210654 -0.303727 -0.629390
H -4.352186 -0.559561 1.374234
H -5.097735 -0.413450 -0.238574


