%chk=000178709.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000178709

0 1
 O    6.190200     -0.9912000      0.3658000    
 O   -1.262000       1.005500     -0.1448000    
 C    3.871500      -1.273000     -0.3270000    
 C    3.331300     -0.3682000      0.8012000    
 C    2.335500      0.6636000      0.3306000    
 C    5.199400      -1.954800      3.6899999E-02
 C    2.813000      -2.324500     -0.6801000    
 C   0.9861000      0.3478000      0.3133000    
 C    2.788600       1.908700     -7.6200001E-02
 C   6.6200003E-02   1.301600     -0.1218000    
 C    1.868700       2.862500     -0.5114000    
 C   0.5074000       2.558900     -0.5342000    
 C   -1.644400     -0.2985000      0.2902000    
 C   -3.132600     -0.4410000      0.1617000    
 C   -3.952500     -9.0999998E-02   1.228600    
 C   -3.678400     -0.9221000      -1.023200    
 C   -5.335900     -0.2238000       1.109400    
 C   -5.061700      -1.054800      -1.142700    
 C   -5.890500     -0.7057000     -7.6300003E-02
 H    4.057200     -0.6526000      -1.214100    
 H    4.160000      0.1679000       1.282200    
 H    2.891400     -0.9745000       1.604500    
 H    5.571900      -2.560300     -0.7960000    
 H    5.072500      -2.613000      0.9027000    
 H    1.916900      -1.869300      -1.110700    
 H    3.203700      -3.022400      -1.429000    
 H    2.518900      -2.909400      0.1979000    
 H   0.7022000     -0.6402000      0.6571000    
 H    3.846800       2.153700     -6.4900003E-02
 H    2.212200       3.841200     -0.8333000    
 H  -0.2046000       3.305800     -0.8745000    
 H   -1.366500     -0.4554000       1.341000    
 H   -1.170000      -1.072600     -0.3279000    
 H    6.295000     -0.4056000     -0.4034000    
 H   -3.531700      0.2878000       2.156000    
 H   -3.042800      -1.194700      -1.861100    
 H   -5.981300      4.8700001E-02   1.939300    
 H   -5.493800      -1.429400      -2.066100    
 H   -6.967600     -0.8088000     -0.1693000    


%chk=000178709-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000178709

0 1
O 6.373328 -1.177384 0.785546
O -1.353817 0.898290 -0.056310
C 4.184814 -1.108862 -0.459265
C 3.392685 -0.617361 0.790562
C 2.359711 0.453846 0.473895
C 5.410637 -1.943715 -0.025302
C 3.301051 -1.925533 -1.428735
C 0.981733 0.126612 0.379783
C 2.764356 1.792758 0.245251
C 0.029554 1.125758 0.058816
C 1.808216 2.784086 -0.077803
C 0.441048 2.460330 -0.174529
C -1.846479 -0.460046 0.213809
C -3.360098 -0.459023 0.113345
C -4.115836 0.700645 0.412411
C -4.035223 -1.652856 -0.242574
C -5.527384 0.662253 0.361439
C -5.446906 -1.693463 -0.285239
C -6.198179 -0.534376 0.017544
H 4.556178 -0.211149 -1.001002
H 4.130247 -0.229529 1.519532
H 2.904362 -1.495573 1.258541
H 5.909542 -2.376035 -0.919617
H 5.100154 -2.772998 0.634670
H 2.415244 -1.343966 -1.738298
H 3.858182 -2.208366 -2.341644
H 2.946167 -2.857324 -0.946276
H 0.672923 -0.908014 0.562575
H 3.824319 2.059964 0.331878
H 2.128251 3.818084 -0.249029
H -0.314612 3.212309 -0.420899
H -1.524120 -0.763151 1.234092
H -1.407743 -1.175530 -0.512206
H 6.731620 -0.437489 0.232435
H -3.590411 1.626153 0.665666
H -3.459023 -2.553628 -0.490294
H -6.103552 1.566175 0.589572
H -5.957703 -2.622626 -0.561853
H -7.292936 -0.562363 -0.020085


