%chk=000068252.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000068252

0 1
 O    1.122000     -0.9833000      0.8742000    
 O    1.575200      -1.559100      -1.349000    
 C    1.092700       1.775500      0.1301000    
 C  -0.1237000      0.9101000      9.2399999E-02
 C  -5.5500001E-02 -0.4321000      0.4657000    
 C   0.9493000       2.946700       1.119500    
 C    1.476500       2.309800      -1.262000    
 C   -1.337600       1.457900     -0.3225000    
 C   -2.415000     -0.6790000      8.9999996E-03
 C   -1.201100      -1.226600      0.4241000    
 C   -2.483200      0.6633000     -0.3642000    
 C   -3.640100      -1.528100     -3.6699999E-02
 C    1.885000      -1.538500     -0.1651000    
 C    3.155300      -2.116600      0.3844000    
 H    1.957700       1.200700      0.4808000    
 H   0.1675000       3.650000      0.8134000    
 H    1.888800       3.505600       1.191500    
 H   0.6987000       2.580900       2.121500    
 H    1.605500       1.486300      -1.973100    
 H    2.421200       2.862400      -1.213600    
 H   0.7164000       2.986700      -1.666400    
 H   -1.415700       2.500500     -0.6177000    
 H   -1.143500      -2.271900      0.7184000    
 H   -3.423400       1.101800     -0.6878000    
 H   -3.389900      -2.570100     -0.2636000    
 H   -4.157500      -1.493100      0.9272000    
 H   -4.329000      -1.187300     -0.8171000    
 H    3.741300      -1.328800      0.8642000    
 H    3.744300      -2.541300     -0.4334000    
 H    2.921200      -2.911500       1.096600    


%chk=000068252-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000068252

0 1
O 1.107588 -1.130272 0.763356
O 1.980241 -1.150882 -1.416582
C 1.136424 1.786001 0.107333
C -0.122692 0.917337 0.074144
C -0.108845 -0.470221 0.353196
C 0.979370 2.985287 1.078808
C 1.514933 2.265127 -1.320777
C -1.388379 1.470559 -0.252456
C -2.522819 -0.699274 0.006010
C -1.268379 -1.268816 0.326879
C -2.560359 0.687913 -0.290114
C -3.786007 -1.542567 0.001816
C 2.090737 -1.437141 -0.209579
C 3.247534 -2.148274 0.456757
H 1.970728 1.165629 0.485648
H 0.182171 3.674189 0.743190
H 1.920638 3.563738 1.128034
H 0.726806 2.645438 2.099386
H 1.658797 1.402512 -1.993778
H 2.451060 2.853737 -1.295421
H 0.721104 2.908318 -1.744772
H -1.453524 2.539682 -0.486012
H -1.179984 -2.335742 0.559578
H -3.516855 1.156097 -0.551825
H -3.574662 -2.588394 -0.282428
H -4.255566 -1.562307 1.004630
H -4.535090 -1.141991 -0.703592
H 3.675079 -1.513692 1.252317
H 4.019347 -2.383900 -0.289556
H 2.894001 -3.077191 0.936610


