%chk=000057714.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000057714

0 1
 O   -2.435400      -1.029700      0.9922000    
 O   -2.142000      -1.582300      -1.335700    
 O    1.694900      -1.249000      0.3460000    
 O   -3.605100       1.460300       1.873800    
 N    4.819500      0.6929000      0.3238000    
 C   -1.963400      -2.011500      3.6699999E-02
 C  -0.4725000      -2.242800      0.2799000    
 C   0.3216000     -0.9594000      0.1243000    
 C   -2.751900      -3.303800      0.2444000    
 C   -2.880400     -4.2399999E-02  0.1662000    
 C   -2.712700     -0.3578000      -1.162800    
 C    3.952100     -0.4671000      0.4645000    
 C    2.501500     -8.6000003E-02  0.2156000    
 C    5.058600      0.9929000      -1.090000    
 C    6.092000      0.4757000       1.016500    
 C   -3.441600       1.153500      0.5634000    
 C   -3.096500      0.5053000      -2.168200    
 C   -3.839100       2.045800     -0.4352000    
 C   -3.667300       1.723700      -1.793100    
 C    5.906600       2.243200      -1.250200    
 C    6.857600     -0.6862000      0.4067000    
 C   -4.196600       2.724600       2.181300    
 H  -0.3040000      -2.636900       1.290300    
 H  -7.9000004E-02  -2.990400     -0.4206000    
 H   0.2073000     -0.5501000     -0.8855000    
 H  -1.3000000E-03 -0.2083000      0.8535000    
 H   -2.649600      -3.672200       1.270500    
 H   -2.429400      -4.083200     -0.4538000    
 H   -3.820200      -3.133200      6.7299999E-02
 H    4.003400     -0.8766000       1.482800    
 H    4.227500      -1.294200     -0.2030000    
 H    2.178400      0.6664000      0.9456000    
 H    2.357500      0.3202000     -0.7906000    
 H    5.487300      0.1597000      -1.658000    
 H    4.104000       1.219300      -1.578100    
 H    6.710000       1.379600       1.036300    
 H    5.894800      0.2593000       2.074600    
 H   -2.962100      0.2529000      -3.213800    
 H   -4.289900       3.011100     -0.2281000    
 H   -3.982000       2.429600      -2.557200    
 H    5.872500       2.577800      -2.293300    
 H    6.960300       2.070800      -1.011600    
 H    5.533600       3.067900     -0.6330000    
 H    7.756400     -0.8641000       1.009900    
 H    7.214800     -0.4863000     -0.6073000    
 H    6.302400      -1.628300      0.4108000    
 H   -3.573500       3.553700       1.829600    
 H   -5.222100       2.789000       1.802600    
 H   -4.249700       2.800700       3.272100    


%chk=000057714-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000057714

0 1
O -2.377409 -0.782906 0.944347
O -2.157719 -1.285310 -1.398580
O 1.832150 -1.181805 0.184992
O -3.950519 1.425825 1.993586
N 5.179046 0.497905 0.132112
C -1.899677 -1.851827 -0.017472
C -0.399146 -2.063070 0.167553
C 0.429310 -0.782465 0.019582
C -2.763597 -3.096462 0.169507
C -3.129162 0.120829 0.161299
C -3.003907 -0.167809 -1.210971
C 4.174194 -0.583700 0.283549
C 2.749458 -0.038341 0.097722
C 5.567282 0.729207 -1.282288
C 6.304881 0.421756 1.095849
C -3.893876 1.213528 0.611063
C -3.622767 0.599327 -2.206211
C -4.538053 2.005928 -0.383328
C -4.398927 1.698568 -1.758000
C 6.300003 2.065742 -1.503921
C 7.298171 -0.758605 0.904863
C -4.732852 2.574016 2.458564
H -0.224296 -2.494728 1.169915
H -0.055794 -2.804725 -0.576746
H 0.275835 -0.328530 -0.982534
H 0.143995 -0.040859 0.794695
H -2.644375 -3.488776 1.193735
H -2.466950 -3.876674 -0.552147
H -3.826049 -2.848375 0.007591
H 4.248343 -1.013224 1.299239
H 4.329665 -1.424996 -0.431470
H 2.522618 0.707406 0.889006
H 2.640051 0.463509 -0.889361
H 6.190698 -0.107625 -1.689100
H 4.636261 0.735425 -1.880203
H 6.862077 1.376163 1.055575
H 5.865479 0.365633 2.110074
H -3.510406 0.359272 -3.265807
H -5.151168 2.861847 -0.087910
H -4.908759 2.327248 -2.495375
H 6.462129 2.236179 -2.584235
H 7.289810 2.083020 -1.013244
H 5.700395 2.901286 -1.101214
H 8.071157 -0.737731 1.695792
H 7.814184 -0.703582 -0.071048
H 6.779187 -1.733089 0.963119
H -4.328749 3.524877 2.059751
H -5.799305 2.476016 2.176360
H -4.635616 2.558802 3.553826


