%chk=000171823.chk
%nprocshared=4
%mem=3800MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000171823

0 1
 O   -4.225200      0.5204000      0.6671000    
 N   -1.341600      0.4851000     -0.1480000    
 N   -1.674700     -0.6372000      0.7075000    
 C   9.0700001E-02  0.7365000      1.9500000E-02
 C   -2.120700       1.669300      0.2624000    
 C   -2.294400      -1.693100     -9.5799997E-02
 C   -3.535300      -1.289800     -0.9044000    
 C   0.9111000     -0.4979000     -0.3568000    
 C   -3.610900       1.561500     -8.7800004E-02
 C   -4.644600     -0.6053000     -0.1009000    
 C    2.388100     -0.2595000     -0.1673000    
 C    3.136400      0.2483000      -1.218500    
 C    2.973800     -0.5524000       1.055000    
 C    4.502800      0.4683000      -1.043300    
 C    4.340000     -0.3323000       1.230300    
 C    5.104500      0.1781000      0.1810000    
 H   0.3897000       1.571500     -0.6279000    
 H   0.3214000       1.039300       1.051100    
 H   -1.732800       2.551400     -0.2627000    
 H   -2.006100       1.857100       1.338900    
 H   -2.573900      -2.503600      0.5881000    
 H   -1.552400      -2.124400     -0.7790000    
 H   -3.224900     -0.6428000      -1.733200    
 H   -3.953100      -2.189400      -1.373400    
 H   -2.315800     -0.3528000       1.447300    
 H   0.7178000     -0.7777000      -1.401300    
 H   0.6436000      -1.377900      0.2408000    
 H   -4.100800       2.495700      0.2086000    
 H   -3.772400       1.451500      -1.166400    
 H   -5.455100     -0.2935000     -0.7700000    
 H   -5.073700      -1.325500      0.6042000    
 H    2.676600      0.4794000      -2.175200    
 H    2.386800     -0.9480000       1.879100    
 H    5.097900      0.8663000      -1.860100    
 H    4.808500     -0.5576000       2.183900    
 H    6.168200      0.3497000      0.3176000    


%chk=000171823-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000171823

0 1
O -4.363522 0.577188 0.608133
N -1.345854 0.438667 -0.061953
N -1.741809 -0.711223 0.765216
C 0.117679 0.685861 0.110218
C -2.138198 1.652470 0.282745
C -2.450269 -1.774212 0.003551
C -3.610271 -1.312530 -0.912301
C 0.955988 -0.504900 -0.408226
C -3.615107 1.602473 -0.141684
C -4.767847 -0.600597 -0.187377
C 2.446126 -0.267267 -0.220468
C 3.236784 0.279214 -1.264485
C 3.074528 -0.552246 1.020608
C 4.614779 0.533869 -1.077656
C 4.451385 -0.299637 1.213372
C 5.227628 0.245913 0.163912
H 0.372212 1.596985 -0.465823
H 0.373956 0.875421 1.179893
H -1.670451 2.517936 -0.225752
H -2.098699 1.859400 1.383426
H -2.819168 -2.494133 0.762307
H -1.706053 -2.308526 -0.616506
H -3.187112 -0.652960 -1.692688
H -4.031357 -2.196932 -1.433962
H -2.324778 -0.383471 1.554261
H 0.715092 -0.661105 -1.476588
H 0.625815 -1.400952 0.148268
H -4.085131 2.573852 0.106495
H -3.698420 1.438592 -1.233969
H -5.544363 -0.298622 -0.924285
H -5.237271 -1.267237 0.558913
H 2.768449 0.499887 -2.232217
H 2.479010 -0.982671 1.835628
H 5.209727 0.951449 -1.898312
H 4.919691 -0.530890 2.177228
H 6.296333 0.439635 0.310478


