%chk=000174590.chk
%nprocshared=4
%mem=3800MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000174590

0 1
 O    2.528800      0.1016000      0.1318000    
 O   -1.938000       3.008100     -0.3647000    
 O   -2.658500      -1.776100     -0.3739000    
 O   -3.675000      0.7351000     -0.9216000    
 O    7.092800     -0.3993000      -1.271200    
 O   -2.901000      -4.053400     -0.3388000    
 C   0.2195000      0.3441000      0.6467000    
 C  -0.3123000       1.617300      0.3618000    
 C  -0.5697000     -0.7900000      0.3988000    
 C   -1.601600       1.704000     -0.1552000    
 C    1.604000      0.2141000       1.203700    
 C   -1.855600     -0.6396000     -0.1205000    
 C   -2.417300      0.6057000     -0.4155000    
 C   0.1513000       2.955400      0.4679000    
 C  -7.7299997E-02  -2.131300      0.6708000    
 C    3.863700     -2.4800001E-02  0.6040000    
 C  -0.8706000       3.757400      1.5400000E-02
 C    4.816100     -0.1665000     -0.5729000    
 C  -0.8449000      -3.196200      0.4273000    
 C   -2.207100      -3.066700     -0.1200000    
 C    6.263000     -0.2856000     -0.1234000    
 C   -4.610400       1.486800     -0.1504000    
 H    1.846800       1.114700       1.782600    
 H    1.704500     -0.6151000       1.911100    
 H    1.111400       3.297800      0.8272000    
 H   0.9217000      -2.301300       1.049500    
 H    4.126000      0.8632000       1.191200    
 H    3.940100     -0.9074000       1.250300    
 H  -0.9882000       4.825600     -9.4200000E-02
 H    4.702500      0.6890000      -1.251000    
 H    4.536600      -1.037800      -1.178800    
 H  -0.4780000      -4.198700      0.6196000    
 H    6.571000      0.6000000      0.4415000    
 H    6.406700      -1.173900      0.5000000    
 H   -4.490800       1.296000      0.9215000    
 H   -5.617500       1.178700     -0.4452000    
 H   -4.503600       2.554600     -0.3610000    
 H    8.009100     -0.4738000     -0.9544000    


%chk=000174590-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000174590

0 1
O 2.561179 0.025776 0.197131
O -2.367325 3.020806 0.197055
O -2.501217 -1.858031 -0.240937
O -3.890598 0.386276 -0.464722
O 6.954692 -1.060442 -1.462026
O -2.577934 -4.155841 -0.431825
C 0.244458 0.521230 0.782551
C -0.489495 1.719434 0.657592
C -0.438162 -0.693223 0.466674
C -1.858744 1.699348 0.241838
C 1.672907 0.522112 1.270343
C -1.812269 -0.680532 0.059780
C -2.572715 0.523595 -0.066636
C -0.160998 3.125099 0.870581
C 0.210025 -1.992016 0.522275
C 3.971348 0.018800 0.618055
C -1.289368 3.856272 0.588204
C 4.795949 -0.494803 -0.566192
C -0.463436 -3.155374 0.232694
C -1.870564 -3.168127 -0.159308
C 6.294462 -0.551190 -0.249864
C -4.715509 1.593529 -0.671292
H 1.980243 1.547482 1.561674
H 1.792379 -0.130250 2.165663
H 0.796288 3.536142 1.183599
H 1.273918 -2.025521 0.772938
H 4.282925 1.049248 0.905954
H 4.096623 -0.637129 1.511175
H -1.518904 4.918212 0.599814
H 4.633099 0.162626 -1.438624
H 4.447707 -1.504958 -0.847440
H 0.025116 -4.132330 0.269249
H 6.672464 0.462703 0.009994
H 6.481264 -1.225613 0.615397
H -4.820987 2.166132 0.265754
H -5.690142 1.200273 -0.993763
H -4.281841 2.238445 -1.454624
H 7.931362 -1.116460 -1.308729


