%chk=000176875.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000176875

0 1
 O    3.917600      -1.764000     -0.2143000    
 O    1.871800       2.439100      0.8730000    
 N    4.130000      0.7795000      0.9452000    
 N   -3.765200      0.7845000     -6.1000001E-02
 N   -3.507700      -1.356400       1.014500    
 N   -2.223500       1.479800      -1.723500    
 N   -5.277000      7.4400000E-02   1.586800    
 C  -0.7239000     -0.9568000      -1.475100    
 C   0.5472000     -0.5021000     -0.8411000    
 C   -1.962400     -0.6530000     -0.6563000    
 C   0.6268000      0.7684000     -0.2711000    
 C    1.656500      -1.347400     -0.8183000    
 C    2.845500     -0.9222000     -0.2256000    
 C    1.815600       1.193800      0.3217000    
 C    2.925100      0.3485000      0.3445000    
 C   -2.662300      0.5103000     -0.7881000    
 C   -2.412700      -1.564900      0.2544000    
 C   -4.126500     -0.1783000      0.8084000    
 C    4.041400      -2.639300      0.9044000    
 C    2.283700       3.506000      2.1299999E-02
 H  -0.7941000     -0.5510000      -2.490300    
 H  -0.6925000      -2.045000      -1.629900    
 H  -0.2035000       1.461800     -0.2658000    
 H    1.603100      -2.338300      -1.262700    
 H   -1.914000      -2.513300      0.4230000    
 H    4.182500       1.694900       1.371500    
 H    4.938000      0.1714000      0.9493000    
 H   -1.807300       1.174100      -2.592700    
 H   -2.766800       2.334600      -1.758900    
 H    3.196300      -3.334100      0.9403000    
 H    4.100300      -2.072700       1.839000    
 H    4.962900      -3.216200      0.7874000    
 H    2.317600       4.424000      0.6145000    
 H    1.565200       3.642600     -0.7931000    
 H    3.281300       3.316900     -0.3872000    
 H   -5.775600      0.9455000       1.468500    
 H   -5.587600     -0.6181000       2.254100    


%chk=000176875-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000176875

0 1
O 4.163112 -1.241047 -0.937199
O 2.315382 2.564814 1.185538
N 4.371602 1.290920 -0.008692
N -3.293619 0.461120 -1.366387
N -4.141605 0.092091 0.904240
N -1.174648 -0.266365 -2.026010
N -5.429175 1.178233 -0.727752
C -0.652835 -1.506489 0.636845
C 0.669921 -0.756314 0.442674
C -1.905229 -0.724500 0.278640
C 0.818216 0.572410 0.913224
C 1.768507 -1.392487 -0.188714
C 2.998664 -0.711631 -0.332852
C 2.047241 1.244515 0.760699
C 3.166494 0.620234 0.137013
C -2.126791 -0.170752 -1.031989
C -2.962613 -0.540273 1.189131
C -4.247602 0.554047 -0.387192
C 4.099250 -2.617703 -1.421242
C 1.225253 3.293036 1.833676
H -0.614377 -2.443100 0.041703
H -0.744587 -1.824581 1.695797
H -0.038956 1.065697 1.382251
H 1.659184 -2.423235 -0.543303
H -2.871479 -0.926750 2.213102
H 4.454140 2.239879 0.342169
H 5.153374 0.818125 -0.450765
H -0.215583 -0.525159 -1.794963
H -1.383940 0.173202 -2.920673
H 3.335184 -2.730260 -2.215622
H 3.879617 -3.323759 -0.596549
H 5.096308 -2.830226 -1.835198
H 1.638123 4.283690 2.075802
H 0.901953 2.785579 2.763257
H 0.358304 3.404380 1.154049
H -5.552130 1.530789 -1.672095
H -6.158864 1.258872 -0.025812


