%chk=000173601.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000173601

0 1
 O    7.065900      0.9112000     -0.4010000    
 O    12.42890      -1.489500       1.277400    
 O   -9.147800      -1.982100      0.4703000    
 O   -9.396800      0.1745000      0.7960000    
 N    2.815000      0.6273000     -0.6350000    
 N   0.6941000       1.499200     -5.6400001E-02
 N   -2.568400     -0.1452000      0.4619000    
 N   -1.422100       2.394400      0.5261000    
 N   -3.234700     -5.4099999E-02 -0.5947000    
 N    2.466500      -2.892600     -0.9944000    
 N   -8.682400     -0.8177000      0.5138000    
 N   -4.451900       3.271000      9.0800002E-02
 C    4.923300       1.821100     -0.9658000    
 C    3.444300       1.926200     -0.6128000    
 C    5.701800      0.9330000     -2.2000000E-03
 C    9.292600      0.1170000     -2.0099999E-02
 C    7.848700      9.6900001E-02  0.4608000    
 C    10.19510     -0.7277000      0.8723000    
 C    1.472200      0.4181000     -0.3635000    
 C    11.64630     -0.6733000      0.4167000    
 C   0.9448000     -0.8794000     -0.4079000    
 C  -0.4048000      -1.069800     -0.1325000    
 C   -1.205600      2.2900000E-02  0.1810000    
 C  -0.6130000       1.275200      0.2056000    
 C   -1.006400      -2.441000     -0.1689000    
 C    1.786700      -1.993100     -0.7323000    
 C   -4.601300     -0.2228000     -0.3136000    
 C   -5.411500      0.8659000      1.3000000E-03
 C   -5.137900      -1.507800     -0.3550000    
 C   -7.304600     -0.6165000      0.2354000    
 C   -6.764700      0.6688000      0.2762000    
 C   -6.491200      -1.704900     -8.0300003E-02
 C   -4.881200       2.194900      5.0799999E-02
 H    5.369600       2.823200     -0.9766000    
 H    5.041300       1.432100      -1.985500    
 H    3.338400       2.377500      0.3809000    
 H    2.954800       2.590600      -1.334700    
 H    5.624100       1.329900       1.016800    
 H    5.310100     -9.0200000E-02 -1.3000000E-02
 H    9.337100     -0.2430000      -1.055600    
 H    9.649800       1.154100     -4.7699999E-02
 H    7.788400      0.4838000       1.484900    
 H    7.463400     -0.9295000      0.4475000    
 H    9.853600      -1.770400      0.8789000    
 H    10.13020     -0.3849000       1.912700    
 H    3.278700     -8.4500000E-02  -1.190200    
 H    12.03200      0.3502000      0.4613000    
 H    11.74870      -1.048700     -0.6065000    
 H  -0.3216000      -3.195200      0.2333000    
 H   -1.909000      -2.521800      0.4454000    
 H   -1.265800      -2.709200      -1.198200    
 H    13.34770      -1.435800      0.9636000    
 H  -0.9672000       3.299100      0.5342000    
 H   -2.399500       2.356100      0.2762000    
 H   -4.512900      -2.362300     -0.6013000    
 H   -7.382800       1.530800      0.5204000    
 H   -6.877200      -2.720300     -0.1220000    


%chk=000173601-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000173601

0 1
O 7.035711 0.889837 -0.436676
O 11.958212 -1.357375 2.583661
O -9.291875 -1.647767 1.603788
O -9.035622 0.555096 2.154995
N 2.854065 0.660536 -1.764641
N 0.894317 1.545414 -0.857078
N -2.438246 0.178819 -0.156947
N -1.012384 2.468941 0.066026
N -3.212728 -0.900254 -0.219401
N 2.425992 -2.685142 -2.640998
N -8.591326 -0.563748 1.682498
N -3.806022 2.818988 1.081850
C 5.102675 1.715712 -1.608043
C 3.580239 1.941309 -1.649141
C 5.579462 0.995453 -0.339677
C 9.146883 0.138035 0.488879
C 7.631653 0.179745 0.705110
C 9.874197 -0.597588 1.637024
C 1.550005 0.486774 -1.393638
C 11.390037 -0.642909 1.427508
C 0.913233 -0.817368 -1.577741
C -0.431700 -1.010080 -1.191616
C -1.135636 0.113210 -0.613127
C -0.404520 1.381239 -0.469571
C -1.078574 -2.358912 -1.391901
C 1.699492 -1.863884 -2.153773
C -4.519310 -0.693594 0.279075
C -5.069327 0.527595 0.823482
C -5.359576 -1.845433 0.221215
C -7.196207 -0.609787 1.200549
C -6.409454 0.554096 1.279598
C -6.683868 -1.819862 0.672839
C -4.316792 1.744764 0.933359
H 5.605008 2.698609 -1.661671
H 5.441008 1.144503 -2.495158
H 3.219650 2.451601 -0.739502
H 3.315906 2.594646 -2.504668
H 5.291135 1.573166 0.568417
H 5.125354 -0.017907 -0.253816
H 9.350238 -0.359929 -0.479143
H 9.518593 1.177356 0.399802
H 7.383115 0.709882 1.652522
H 7.213342 -0.850400 0.768633
H 9.502418 -1.636861 1.725244
H 9.670730 -0.098900 2.604704
H 3.335565 -0.124359 -2.213625
H 11.796153 0.390511 1.361728
H 11.627336 -1.172282 0.478571
H -0.377454 -3.070114 -1.857748
H -1.435911 -2.767949 -0.431174
H -1.983750 -2.268241 -2.016435
H 12.941766 -1.416370 2.485574
H -0.467430 3.327668 0.139341
H -1.989298 2.457299 0.384832
H -4.922613 -2.758099 -0.193515
H -6.844271 1.467644 1.694504
H -7.327798 -2.701637 0.629896


