%chk=000161713.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000161713

0 1
 O  -0.5883000      -2.433400      0.7566000    
 O   -2.089600       1.954600      4.4399999E-02
 N    1.003700     -0.7700000      0.4214000    
 N   -1.362000     -0.2507000      0.4032000    
 N   0.8053000       2.677200     -0.1676000    
 N    2.448800       1.185200      4.0199999E-02
 C    1.229700      0.5784000      0.1813000    
 C   0.2021000       1.473200      5.7700001E-02
 C    2.131600      -1.685000      0.5453000    
 C  -0.3266000      -1.244200      0.5429000    
 C   -2.738400     -0.7189000      0.5264000    
 C   -1.180900       1.136500      0.1580000    
 C    2.538600      -2.289300     -0.7933000    
 C   -3.328700      -1.144800     -0.8126000    
 C    2.157800       2.452600     -0.1693000    
 C   0.1670000       3.956000     -0.3683000    
 C    3.701900      -3.263000     -0.6697000    
 C   -4.772000      -1.614200     -0.6966000    
 H    1.849500      -2.491400       1.233000    
 H    2.976000      -1.161100       1.009000    
 H   -3.352700      7.9599999E-02  0.9595000    
 H   -2.776500      -1.558700       1.230000    
 H    1.683200      -2.810200      -1.240400    
 H    2.815100      -1.490700      -1.492200    
 H   -3.282300     -0.3092000      -1.521300    
 H   -2.724300      -1.951300      -1.244800    
 H    2.878100       3.243800     -0.3271000    
 H   0.9288000       4.724200     -0.5238000    
 H  -0.4744000       3.888100      -1.250400    
 H  -0.4202000       4.193300      0.5222000    
 H    3.444100      -4.097800     -1.0500000E-02
 H    3.961300      -3.671200      -1.651500    
 H    4.587100      -2.763700     -0.2631000    
 H   -5.412100     -0.8162000     -0.3072000    
 H   -5.155000      -1.910300      -1.678200    
 H   -4.849600      -2.475900     -2.6100000E-02


%chk=000161713-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000161713

0 1
O -0.591489 -2.421826 0.736053
O -2.171115 1.977092 0.054284
N 1.007886 -0.740236 0.439193
N -1.354170 -0.218027 0.416575
N 0.845867 2.769775 -0.155830
N 2.502302 1.202691 0.056583
C 1.257015 0.602363 0.197129
C 0.213834 1.536089 0.072501
C 2.121363 -1.716905 0.542544
C -0.325008 -1.201090 0.539024
C -2.753755 -0.717018 0.521476
C -1.181134 1.187085 0.167463
C 2.501303 -2.327309 -0.824258
C -3.306685 -1.203089 -0.836417
C 2.206755 2.513226 -0.153994
C 0.180553 4.067666 -0.351087
C 3.664670 -3.330916 -0.681310
C -4.758446 -1.707443 -0.698229
H 1.794099 -2.511422 1.234290
H 2.983825 -1.181404 0.975976
H -3.362695 0.120685 0.901042
H -2.756419 -1.544710 1.250041
H 1.615043 -2.834409 -1.249458
H 2.787597 -1.513684 -1.517312
H -3.264546 -0.369206 -1.562319
H -2.660231 -2.015437 -1.217482
H 2.949039 3.293208 -0.307072
H 0.950321 4.840943 -0.505175
H -0.486399 4.028198 -1.226987
H -0.428969 4.321682 0.530703
H 3.392912 -4.164667 -0.007188
H 3.933451 -3.764914 -1.660834
H 4.567548 -2.841127 -0.270703
H -5.426273 -0.907223 -0.327783
H -5.151810 -2.050348 -1.671965
H -4.820140 -2.556796 0.007624


