%chk=000095647.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000095647

0 1
 O    2.000300       1.590500       1.042000    
 O    4.635300      -1.542600     -0.2598000    
 O    4.963300      0.7865000     -0.4962000    
 C   0.6871000       1.403900     -0.9783000    
 C  -0.3748000      0.7235000     -0.1077000    
 C    2.087500       1.322500     -0.3544000    
 C   -1.767300      0.8541000     -0.7281000    
 C   -2.823400      0.1402000      0.1187000    
 C   -4.208900      0.2443000     -0.5215000    
 C    2.713700     -6.4099997E-02 -0.5902000    
 C   -5.311600     -0.4351000      0.2964000    
 C    4.112900     -0.2429000      2.8000001E-02
 C   -6.734900     -0.2912000     -0.2511000    
 C   -7.797600     -0.9353000      0.6392000    
 C    1.879700       2.982300       1.296200    
 C   -9.178700     -0.8447000      8.2000000E-03
 C    4.117500      -2.556700      0.5903000    
 C    6.268800      0.7501000      6.4999998E-02
 C    4.731300      -3.885300      0.2035000    
 H   0.4087000       2.458300      -1.098100    
 H   0.6939000      0.9736000      -1.987000    
 H  -0.4026000       1.166400      0.8940000    
 H  -0.1360000     -0.3387000      1.4800000E-02
 H    2.733200       2.064800     -0.8419000    
 H   -2.029000       1.914600     -0.8266000    
 H   -1.759000      0.4274000      -1.738500    
 H   -2.554100     -0.9167000      0.2341000    
 H   -2.848500      0.5796000       1.123200    
 H   -4.466400       1.302700     -0.6518000    
 H   -4.184100     -0.2006000      -1.523900    
 H    2.052700     -0.8366000     -0.1857000    
 H    2.779400     -0.2492000      -1.670300    
 H   -5.074400      -1.502600      0.3883000    
 H   -5.290400     -2.6100000E-02   1.314800    
 H    4.053600     -0.1024000       1.115300    
 H   -6.965600      0.7741000     -0.3749000    
 H   -6.773500     -0.7407000      -1.251100    
 H   -7.549800      -1.989300      0.8095000    
 H   -7.810600     -0.4421000       1.617900    
 H    2.736800       3.528200      0.8895000    
 H   0.9469000       3.387200      0.8948000    
 H    1.869300       3.126900       2.380300    
 H   -9.468700      0.1986000     -0.1523000    
 H   -9.924600      -1.308200      0.6615000    
 H   -9.204500      -1.361500     -0.9565000    
 H    3.030100      -2.625700      0.4946000    
 H    4.367900      -2.327200       1.631900    
 H    6.222800      0.8402000       1.154600    
 H    6.787600     -0.1706000     -0.2171000    
 H    6.834200       1.598300     -0.3302000    
 H    4.500100      -4.127700     -0.8391000    
 H    5.822400      -3.844600      0.2863000    
 H    4.358700      -4.689800      0.8438000    


%chk=000095647-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000095647

0 1
O 2.131054 1.487707 1.218014
O 4.563205 -1.662232 -0.216620
O 4.838795 0.510616 -1.111235
C 0.651617 1.484480 -0.814120
C -0.419127 0.537566 -0.227918
C 2.076980 1.275779 -0.252244
C -1.854666 0.931331 -0.641290
C -2.933644 -0.024934 -0.085235
C -4.374367 0.394669 -0.454696
C 2.625696 -0.143170 -0.472390
C -5.452581 -0.566020 0.095652
C 4.112599 -0.259196 -0.129641
C -6.895103 -0.131872 -0.249298
C -7.972795 -1.094657 0.299751
C 1.989723 2.885735 1.615803
C -9.411123 -0.647014 -0.039663
C 4.566754 -2.361830 1.079826
C 6.281698 0.572939 -0.849326
C 5.113167 -3.768520 0.836229
H 0.344273 2.535152 -0.632796
H 0.698479 1.367315 -1.916397
H -0.334280 0.541296 0.877296
H -0.221704 -0.503243 -0.555115
H 2.766802 2.003452 -0.735125
H -2.065896 1.963464 -0.289509
H -1.927014 0.961426 -1.749163
H -2.742464 -1.051811 -0.461457
H -2.839901 -0.077517 1.019844
H -4.566440 1.418615 -0.070563
H -4.467109 0.455723 -1.559476
H 2.063652 -0.854900 0.158767
H 2.495607 -0.441319 -1.528435
H -5.271648 -1.586612 -0.302327
H -5.347250 -0.640360 1.198565
H 4.319990 0.123465 0.898568
H -7.077542 0.887157 0.152230
H -7.002535 -0.054257 -1.351771
H -7.793839 -2.110970 -0.107209
H -7.860023 -1.177104 1.400300
H 2.725950 3.532223 1.091046
H 0.970409 3.278446 1.421574
H 2.183928 2.916932 2.700451
H -9.623761 0.353338 0.382859
H -10.162198 -1.351122 0.363692
H -9.558931 -0.585579 -1.134577
H 3.536609 -2.407638 1.494852
H 5.201105 -1.806466 1.806383
H 6.485711 1.016348 0.148864
H 6.731967 -0.434665 -0.903463
H 6.703716 1.219872 -1.633939
H 4.477233 -4.308294 0.113682
H 6.136308 -3.720439 0.424562
H 5.139614 -4.342706 1.780589


