%chk=000056424.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056424

0 1
 O   -3.421100     -0.7684000      0.5890000    
 O    4.681500      -1.195600     -0.5988000    
 N    2.089900     -0.8331000     -0.1535000    
 N    5.323900      0.9675000     -6.3400000E-02
 C   -5.513200      0.1829000     -9.9399999E-02
 C   -6.287000       1.468900     -0.3755000    
 C   -4.092100      0.4704000      0.3637000    
 C   0.7163000     -0.8166000      3.1500001E-02
 C   -2.072300     -0.7843000      0.4083000    
 C    2.941300      0.3119000      6.1900001E-02
 C   -7.691500       1.176900     -0.8790000    
 C  -5.6200001E-02  -1.970700     -0.1959000    
 C   5.8400001E-02  0.3539000      0.4521000    
 C   -1.438500      -1.954800     -9.1000004E-03
 C   -1.323800      0.3700000      0.6390000    
 C    4.383900     -5.5199999E-02 -0.2333000    
 C    4.950100       2.308200      0.3695000    
 C    6.750600      0.7680000     -0.3072000    
 H   -6.030300     -0.4166000      0.6602000    
 H   -5.480200     -0.4409000      -1.001600    
 H   -6.348700       2.069900      0.5392000    
 H   -5.757500       2.070300      -1.123700    
 H   -3.595800       1.060300     -0.4179000    
 H   -4.108700       1.042800       1.298400    
 H    2.874100      0.6372000       1.105300    
 H    2.648000       1.126500     -0.6086000    
 H    2.510100      -1.704400     -0.4588000    
 H   -8.228200       2.111800      -1.068600    
 H   -8.260700      0.6019000     -0.1416000    
 H   -7.663000      0.6061000      -1.812600    
 H   0.4219000      -2.891800     -0.5217000    
 H   0.6037000       1.273200      0.6490000    
 H   -2.016500      -2.856800     -0.1907000    
 H   -1.774400       1.293300      0.9911000    
 H    4.239100       2.734900     -0.3432000    
 H    5.829100       2.957100      0.4260000    
 H    4.484900       2.252100       1.357500    
 H    7.298500      0.9711000      0.6174000    
 H    7.074400       1.457400      -1.092200    
 H    6.954000     -0.2575000     -0.6256000    


%chk=000056424-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000056424

0 1
O -3.447558 -0.736214 -0.247342
O 4.817076 -1.308667 -0.126706
N 2.215474 -0.757503 -0.114065
N 5.500569 0.903895 0.174950
C -5.693344 0.155632 -0.213488
C -6.602405 1.402141 -0.110219
C -4.207874 0.514956 -0.126204
C 0.821330 -0.698268 -0.139669
C -2.038041 -0.643408 -0.201843
C 3.067045 0.397110 0.047274
C -8.102413 1.047071 -0.196862
C 0.062712 -1.899089 -0.304493
C 0.108522 0.525945 -0.006546
C -1.339166 -1.870356 -0.334832
C -1.306631 0.554347 -0.037194
C 4.534400 -0.075755 0.024369
C 5.165309 2.328422 0.353908
C 6.924668 0.519683 0.164467
H -5.938014 -0.558500 0.596218
H -5.878710 -0.369149 -1.170506
H -6.402522 1.927966 0.846044
H -6.344483 2.115807 -0.919413
H -3.921015 1.210614 -0.944836
H -3.976403 1.004355 0.844997
H 2.868306 0.933654 1.005114
H 2.911133 1.149284 -0.762175
H 2.714852 -1.646311 -0.214488
H -8.736493 1.948832 -0.115215
H -8.392131 0.354108 0.615215
H -8.337449 0.553114 -1.158243
H 0.587356 -2.856579 -0.409180
H 0.649754 1.469250 0.122366
H -1.917097 -2.791379 -0.461592
H -1.816266 1.517043 0.069271
H 4.593738 2.728242 -0.505189
H 6.099653 2.905593 0.435569
H 4.577313 2.501333 1.275543
H 7.411928 0.796376 1.118201
H 7.458292 1.015578 -0.668019
H 6.982583 -0.571371 0.032013


