%chk=000107598.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000107598

0 1
 O   -3.928100      5.7999998E-02  0.9454000    
 O   -6.163700     -0.7390000     -0.9575000    
 O   -4.272100       2.746700       1.692300    
 O   -1.781600      -2.993300      0.4824000    
 O    2.387800       1.142900      -1.210100    
 N   -1.928300     -0.7325000      2.0600000E-02
 N   0.1793000      -1.847100      0.4002000    
 N    2.123000     -0.6055000      0.2980000    
 C   -5.217300      0.3248000      -1.028300    
 C   -3.875400     -0.2531000      -1.411300    
 C   -4.963800      0.8770000      0.3682000    
 C   -3.358500     -0.7692000     -7.8299999E-02
 C   -4.468800       2.317300      0.3549000    
 C   -1.246300      0.4632000     -0.1674000    
 C   -1.202500      -1.919200      0.3113000    
 C   8.1200004E-02  0.5603000     -8.8200003E-02
 C   0.7596000     -0.7082000      0.2159000    
 C    2.855300      0.3208000     -0.4262000    
 C    4.320300      0.3060000     -0.1802000    
 C    5.167800      0.7355000      -1.180300    
 C    4.786400     -0.1363000       1.040400    
 C    6.543400      0.7217000     -0.9495000    
 C    6.162000     -0.1499000       1.271200    
 C    7.040400      0.2792000      0.2763000    
 H   -5.596800       1.063300      -1.739200    
 H   -3.938600      -1.060900      -2.148000    
 H   -3.253200      0.5369000      -1.843200    
 H   -5.841800      0.7863000       1.017400    
 H   -3.734600      -1.783100      9.5500000E-02
 H   -5.222600       2.971500     -9.4899997E-02
 H   -3.538000       2.461100     -0.1923000    
 H   -5.916700      -1.332600     -0.2286000    
 H   -1.830500       1.352700     -0.3404000    
 H   -3.603600       2.163000       2.090100    
 H   0.5398000       1.536600     -0.1089000    
 H    2.608900      -1.393500      0.7168000    
 H    4.796500       1.078100      -2.141500    
 H    4.132600     -0.4499000       1.848100    
 H    7.227600       1.054900      -1.724400    
 H    6.549400     -0.4881000       2.228000    
 H    8.111400      0.2699000      0.4566000    


%chk=000107598-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000107598

0 1
O -4.040931 0.491774 1.034267
O -6.533134 -1.014282 -0.261367
O -4.160338 3.261180 0.487767
O -1.753094 -2.788373 0.096408
O 2.706085 1.971793 -0.121096
N -1.938817 -0.455816 0.250212
N 0.232294 -1.517808 0.077864
N 2.184133 -0.311864 0.002279
C -5.487570 -0.136958 -0.799713
C -4.129065 -0.854643 -0.982773
C -5.149129 1.022946 0.161821
C -3.410298 -0.667718 0.379830
C -4.659792 2.313412 -0.512198
C -1.354709 0.787513 0.216695
C -1.144448 -1.681095 0.135743
C 0.019257 0.932267 0.104570
C 0.781097 -0.285172 0.057319
C 3.086270 0.765537 -0.037004
C 4.541445 0.389015 0.010619
C 5.474809 1.369070 -0.417297
C 5.016669 -0.863565 0.484575
C 6.856961 1.096274 -0.393537
C 6.401941 -1.132508 0.512958
C 7.324483 -0.157226 0.068384
H -5.910318 0.220126 -1.751960
H -4.256608 -1.918092 -1.233179
H -3.542646 -0.377252 -1.787464
H -5.986690 1.242468 0.845469
H -3.520586 -1.552551 1.029752
H -5.495699 2.819443 -1.025524
H -3.871336 2.087028 -1.262834
H -6.225041 -1.412011 0.593303
H -2.020453 1.649023 0.303260
H -3.744362 2.736371 1.222132
H 0.503934 1.905713 0.071530
H 2.548094 -1.269439 -0.031610
H 5.090270 2.335794 -0.758006
H 4.328492 -1.624483 0.872550
H 7.568989 1.856528 -0.731709
H 6.760823 -2.096352 0.889073
H 8.398916 -0.369765 0.089789


