%chk=000009046.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000009046

0 1
 O    6.016500      0.9224000       1.374200    
 O   -4.767600     -0.1208000     -0.4465000    
 C    3.693500      0.4393000      0.6606000    
 C    3.133000     -0.7626000     -0.1331000    
 C    1.618700     -0.9164000      2.6699999E-02
 C    5.220100      0.2614000      0.4004000    
 C   0.9209000      0.3683000     -0.5126000    
 C    3.033500       1.719700      0.1187000    
 C    4.036800      -1.919300      0.2859000    
 C    1.494500       1.642700      0.1614000    
 C    5.416700      -1.271800      0.5253000    
 C    1.071300      -2.131800     -0.7255000    
 C    3.418000      0.3609000       2.191700    
 C  -0.5991000      0.2373000     -0.4585000    
 C  -0.4091000      -2.314800     -0.4056000    
 C   -1.209500      -1.036100     -0.4504000    
 C    5.653800      0.7134000     -0.9363000    
 C   -1.429500       1.371300     -0.5054000    
 C   -2.611600      -1.141100     -0.4340000    
 C   -2.821000       1.252400     -0.4987000    
 C   -3.412600     -3.1999999E-03 -0.4576000    
 C    6.006400       1.080600      -2.023400    
 C   -5.461900      0.4867000      0.6359000    
 C   -6.301000     -0.5615000       1.350300    
 C   -6.504700       1.463900      0.1148000    
 C   -7.546700     -0.7146000      0.4786000    
 C   -7.659600      0.5736000     -0.3370000    
 H    3.317100     -0.6004000      -1.207100    
 H    1.373600      -1.050900       1.088000    
 H    1.160500      0.4514000      -1.584100    
 H    3.319200       1.894000     -0.9252000    
 H    3.374100       2.596800      0.6820000    
 H    4.092700      -2.691100     -0.4889000    
 H    3.677700      -2.398400       1.203700    
 H    1.141200       1.708200       1.197400    
 H    1.117300       2.539800     -0.3433000    
 H    5.784700      -1.550400       1.520500    
 H    6.149300      -1.657600     -0.1940000    
 H    1.607700      -3.046100     -0.4484000    
 H    1.206600      -1.997600      -1.806500    
 H    2.352900      0.3275000       2.433400    
 H    3.873600     -0.5194000       2.655800    
 H    3.827100       1.241700       2.700600    
 H  -0.5071000      -2.737200      0.6027000    
 H  -0.8317000      -3.042300      -1.109200    
 H    6.937900      0.6320000       1.260400    
 H   -1.011900       2.372200     -0.5582000    
 H   -3.080300      -2.122700     -0.4046000    
 H   -3.428100       2.152900     -0.5384000    
 H    6.318400       1.406400      -2.988000    
 H   -4.777800      0.9725000       1.342600    
 H   -6.595000     -0.1971000       2.341800    
 H   -5.781800      -1.517400       1.470500    
 H   -6.137900       2.083500     -0.7090000    
 H   -6.844300       2.121200      0.9239000    
 H   -8.437900     -0.8873000       1.090500    
 H   -7.440800      -1.573000     -0.1946000    
 H   -7.568100      0.3444000      -1.405200    
 H   -8.625600       1.067000     -0.1899000    


%chk=000009046-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000009046

0 1
O 6.146818 1.055928 0.990583
O -4.823709 -0.489195 0.682436
C 3.774293 0.406446 0.581959
C 3.137452 -0.756720 -0.241624
C 1.663710 -0.997094 0.129420
C 5.254578 0.338492 0.047620
C 0.861233 0.311331 -0.159185
C 2.995861 1.709917 0.292687
C 4.155537 -1.922074 -0.112465
C 1.477984 1.537142 0.576088
C 5.546513 -1.213400 0.013955
C 1.017467 -2.169146 -0.639187
C 3.800966 0.131739 2.109932
C -0.642334 0.119398 0.097795
C -0.397273 -2.447536 -0.091840
C -1.234776 -1.182044 0.088815
C 5.419347 0.923688 -1.301672
C -1.498801 1.229955 0.297100
C -2.626933 -1.321728 0.278040
C -2.891017 1.096026 0.487682
C -3.462125 -0.200374 0.481532
C 5.639368 1.395779 -2.420100
C -5.772312 0.640037 0.867435
C -7.103826 0.005310 1.304054
C -6.108892 1.312702 -0.483830
C -7.778024 -0.483081 -0.013200
C -7.108456 0.336436 -1.169994
H 3.147234 -0.429535 -1.306130
H 1.593996 -1.227981 1.214430
H 0.989076 0.503320 -1.251239
H 3.134087 1.987853 -0.771455
H 3.398582 2.543449 0.899861
H 4.115493 -2.598510 -0.983941
H 3.938397 -2.531575 0.785357
H 1.290755 1.441321 1.663375
H 0.967590 2.464705 0.255293
H 6.047185 -1.475426 0.963318
H 6.225504 -1.479753 -0.814320
H 1.636581 -3.082040 -0.548407
H 0.968110 -1.914647 -1.718223
H 2.782881 0.133766 2.533377
H 4.263337 -0.839386 2.357872
H 4.389596 0.915967 2.613558
H -0.305103 -2.952166 0.893055
H -0.936083 -3.156924 -0.749280
H 7.030826 1.171161 0.557192
H -1.078517 2.241087 0.303533
H -3.088679 -2.315866 0.274836
H -3.503512 1.990092 0.633740
H 5.812182 1.815784 -3.393825
H -5.357836 1.336141 1.623074
H -7.718001 0.783015 1.796455
H -6.936863 -0.806490 2.031939
H -5.210861 1.505933 -1.094918
H -6.590813 2.288776 -0.277933
H -8.872352 -0.335704 0.017678
H -7.596070 -1.561980 -0.156460
H -6.564912 -0.343013 -1.849234
H -7.851355 0.883191 -1.777514


