%chk=000029248.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000029248

0 1
 O  -0.3219000     -0.2633000      -1.624100    
 O   0.9242000      -1.001000       1.274200    
 N    1.600200      0.7956000     -9.7000003E-03
 N    5.251400      0.1169000      0.2599000    
 C  -0.7046000     -2.2399999E-02 -0.2548000    
 C   -1.729900      -1.063800      0.2065000    
 C   -1.285000       1.391500     -0.1334000    
 C   0.6770000     -0.1539000      0.4155000    
 C    2.939600      0.8687000      0.5254000    
 C    3.901800      6.6000000E-03 -0.2785000    
 C   -1.741600      -1.431800       1.531200    
 C   -1.960100       1.917900      -1.208800    
 C   -2.596200      -1.588500     -0.7232000    
 C   -1.106000       2.074700       1.045800    
 C   0.2545000      -1.546400      -1.764900    
 C   -2.674700      -2.380000       1.950700    
 C   -2.487800       3.204400      -1.098300    
 C   -3.529300      -2.536700     -0.3036000    
 C   -1.633800       3.361200       1.156300    
 C   -3.568600      -2.932400       1.033200    
 C   -2.324600       3.926000      8.4299996E-02
 C   0.6406000      -1.757300      -3.213300    
 C    5.284400     -0.3056000       1.661600    
 C    6.190000     -0.6806000     -0.5320000    
 H    2.875400      0.5672000       1.574500    
 H    3.239200       1.922100      0.4908000    
 H    1.343500       1.450000     -0.7427000    
 H    3.558200      -1.036600     -0.2837000    
 H    3.888000      0.3464000      -1.322300    
 H   -1.116700     -0.9755000       2.290100    
 H   -2.107200       1.370900      -2.134300    
 H   -2.604300      -1.278700      -1.763400    
 H  -0.5848000       1.649100       1.897000    
 H    1.187400      -1.665700      -1.205900    
 H  -0.4035000      -2.371900      -1.486300    
 H   -2.717400      -2.675700       2.995000    
 H   -3.027900       3.643500      -1.932000    
 H   -4.230000      -2.961800      -1.016400    
 H   -1.509800       3.921800       2.078200    
 H   -4.298700      -3.666500       1.361000    
 H   -2.736800       4.927100      0.1709000    
 H    1.103700      -2.737600      -3.359000    
 H  -0.2399000      -1.684900      -3.860400    
 H    1.343000     -0.9841000      -3.542500    
 H    4.818000      0.4317000       2.322100    
 H    4.813500      -1.283200       1.816700    
 H    6.321100     -0.3784000       2.013100    
 H    7.213700     -0.5495000     -0.1642000    
 H    5.947600      -1.749200     -0.5076000    
 H    6.189300     -0.3501000      -1.576800    


%chk=000029248-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000029248

0 1
O -0.445000 -0.237231 -1.698827
O 0.787127 0.145362 1.746792
N 1.708443 0.533721 -0.360366
N 5.399789 -0.038280 0.369937
C -0.707632 0.056759 -0.256347
C -1.619559 -1.021658 0.351965
C -1.370350 1.451139 -0.224125
C 0.670475 0.217396 0.484731
C 3.060263 0.836197 0.124735
C 4.020063 -0.367226 -0.051001
C -1.145043 -2.046917 1.206608
C -1.598729 2.192518 -1.407098
C -2.982359 -1.038587 -0.045535
C -1.747308 1.999898 1.028146
C -0.068083 -1.636439 -2.010126
C -2.018113 -3.063256 1.657436
C -2.204130 3.469087 -1.338053
C -3.852373 -2.055875 0.398687
C -2.348025 3.274676 1.093169
C -3.372647 -3.074409 1.255754
C -2.580198 4.015228 -0.090369
C 0.292488 -1.672254 -3.494916
C 5.551178 0.063447 1.837572
C 6.403886 -0.948158 -0.218678
H 2.964451 1.105732 1.190054
H 3.471198 1.703749 -0.422191
H 1.477894 0.586514 -1.357764
H 3.600086 -1.245504 0.503237
H 4.047934 -0.641937 -1.123454
H -0.106566 -2.035465 1.547391
H -1.312542 1.760607 -2.369356
H -3.355208 -0.247779 -0.705951
H -1.558931 1.428469 1.943715
H 0.791083 -1.945661 -1.377795
H -0.919513 -2.306890 -1.788598
H -1.639355 -3.843264 2.327581
H -2.382255 4.034590 -2.260056
H -4.901657 -2.052279 0.082665
H -2.634562 3.689801 2.065948
H -4.047447 -3.862364 1.609115
H -3.048443 5.004833 -0.039125
H 0.551695 -2.703630 -3.796345
H -0.560736 -1.334752 -4.108360
H 1.156098 -1.019520 -3.715527
H 4.860520 0.818454 2.248428
H 5.354366 -0.905102 2.363614
H 6.580400 0.383524 2.079031
H 7.418309 -0.602578 0.050608
H 6.302024 -2.009318 0.125125
H 6.321194 -0.935167 -1.320183


