%chk=000091451.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000091451

0 1
 O    3.633500     -4.7600001E-02   1.829900    
 O    5.339200     -0.1969000      -1.127000    
 O   -6.561400     -0.2473000      0.2650000    
 C    2.178800     -0.2552000     -0.1638000    
 C    1.338000      0.9606000      0.2853000    
 C  -0.1072000      0.9297000     -0.2277000    
 C  -0.8058000     -0.3782000      0.2431000    
 C   -2.287500     -0.4719000     -0.3012000    
 C    3.556800      0.1511000      0.4217000    
 C    1.512500      -1.507200      0.4307000    
 C   5.0500002E-02  -1.644600     -2.8000001E-02
 C    2.208100       2.157700     -8.6400002E-02
 C    3.650900       1.669600      0.1508000    
 C  -0.8880000       2.154400      0.2733000    
 C   -3.012700      0.8719000     -0.1430000    
 C    2.277000     -0.3946000      -1.708400    
 C   -3.042300      -1.558200      0.5221000    
 C   -2.369900       2.021400      0.1263000    
 C   -2.313200     -0.8557000      -1.800200    
 C    4.736200     -0.5923000     -0.1305000    
 C   -4.516200      0.8663000     -0.2950000    
 C   -4.554100      -1.579100      0.3008000    
 C   -5.170200     -0.2092000      0.5666000    
 C    5.147200      -1.844500      0.5956000    
 H    1.278800      0.9524000       1.386400    
 H  -0.1018000      0.9671000      -1.323000    
 H  -0.8731000     -0.3029000       1.340800    
 H    1.529900      -1.471400       1.526900    
 H    2.062100      -2.409200      0.1390000    
 H   4.1999999E-02  -1.898900      -1.091500    
 H  -0.3864000      -2.503600      0.4939000    
 H    1.980200       3.035000      0.5279000    
 H    2.068900       2.444400      -1.134900    
 H    4.252000       1.922000     -0.7293000    
 H    4.085400       2.208900       1.000800    
 H  -0.5584000       3.040700     -0.2821000    
 H  -0.6708000       2.345000       1.331700    
 H    2.791900      0.4506000      -2.175900    
 H    2.830000      -1.302000      -1.977900    
 H    1.299900     -0.4689000      -2.192300    
 H   -2.862000      -1.397500       1.593800    
 H   -2.649100      -2.555000      0.2897000    
 H   -2.940600       2.938900      0.2485000    
 H   -1.703400     -0.1762000      -2.404500    
 H   -1.944700      -1.873600      -1.963600    
 H   -3.324300     -0.8289000      -2.219900    
 H   -4.952800       1.839600     -3.5399999E-02
 H   -4.779400      0.7129000      -1.349200    
 H   -4.792200      -1.910200     -0.7175000    
 H   -5.013900      -2.323500      0.9626000    
 H   -5.064900      5.0600000E-02   1.627100    
 H    4.428200      0.4020000       2.164800    
 H    5.680900      -1.588600       1.514200    
 H    4.280500      -2.468200      0.8208000    
 H    5.817800      -2.424800     -4.5600001E-02
 H   -6.963500     -0.9339000      0.8241000    


%chk=000091451-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000091451

0 1
O 3.472440 -0.078936 1.894625
O 5.421312 -0.250360 -1.132291
O -6.636072 -0.237835 0.282719
C 2.192538 -0.240449 -0.196632
C 1.343512 0.996814 0.238427
C -0.115481 0.964963 -0.258042
C -0.804873 -0.350004 0.226014
C -2.286871 -0.474280 -0.297959
C 3.589275 0.171123 0.434868
C 1.529110 -1.507541 0.391253
C 0.053199 -1.612764 -0.079208
C 2.233381 2.210104 -0.124115
C 3.691336 1.700642 0.130228
C -0.893062 2.193760 0.269432
C -3.032549 0.865698 -0.117875
C 2.344688 -0.361106 -1.736757
C -3.025320 -1.564029 0.557043
C -2.392276 2.036300 0.149350
C -2.331153 -0.874202 -1.806407
C 4.782308 -0.641641 -0.116742
C -4.550314 0.835993 -0.265215
C -4.552189 -1.623002 0.319849
C -5.195266 -0.254461 0.605877
C 5.154121 -1.928698 0.605465
H 1.300079 0.944827 1.348360
H -0.134809 0.998966 -1.367413
H -0.873516 -0.262021 1.335310
H 1.577695 -1.457251 1.494788
H 2.069105 -2.423179 0.075934
H 0.039402 -1.818758 -1.165724
H -0.403344 -2.495391 0.408442
H 1.993140 3.099686 0.483991
H 2.097882 2.492297 -1.185480
H 4.342674 1.854265 -0.746714
H 4.165707 2.226745 0.981671
H -0.569970 3.106137 -0.271639
H -0.623551 2.369406 1.335423
H 2.917052 0.474988 -2.172592
H 2.878420 -1.291162 -2.005066
H 1.360567 -0.391264 -2.232966
H -2.838635 -1.350296 1.630467
H -2.586875 -2.557861 0.347090
H -2.996260 2.945812 0.287837
H -1.671148 -0.222458 -2.406736
H -2.013650 -1.922279 -1.957243
H -3.349432 -0.777013 -2.220306
H -4.981514 1.819270 -0.005463
H -4.847357 0.624703 -1.312941
H -4.780337 -1.908749 -0.725176
H -4.998764 -2.401122 0.973175
H -5.047495 -0.004451 1.681297
H 4.133422 0.492323 2.361412
H 5.802833 -1.696703 1.472314
H 4.265046 -2.437290 1.011204
H 5.716162 -2.584081 -0.079417
H -7.086922 -0.951187 0.802657


