%chk=000093352.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000093352

0 1
 O   -1.008500     -0.5051000      9.5899999E-02
 O   0.3928000      -1.828700       1.369000    
 C    1.848600      0.9599000      0.1339000    
 C    2.638400     -0.2926000      0.3041000    
 C    1.272900     -0.3591000     -0.2912000    
 C    1.338500       1.607100       1.377600    
 C    2.199200       1.932700     -0.9424000    
 C    3.790000     -0.5575000     -0.5792000    
 C   0.1999000     -0.9935000      0.4959000    
 C    5.063500     -0.1501000     -0.4173000    
 C    6.127700     -0.5078000      -1.417200    
 C    5.534600      0.6780000      0.7445000    
 C   -2.145300      -1.039700      0.7817000    
 C   -3.390500     -0.4078000      0.2322000    
 C   -3.879100      0.7617000      0.8036000    
 C   -4.044900     -0.9980000     -0.8434000    
 C   -5.036800       1.348700      0.2929000    
 C   -5.202500     -0.4108000      -1.354400    
 C   -5.698400      0.7627000     -0.7862000    
 H    2.772200     -0.6801000       1.309400    
 H    1.194500     -0.5435000      -1.359400    
 H    1.185700      0.8999000       2.200200    
 H    2.048200       2.362300       1.733500    
 H   0.3826000       2.107100       1.186700    
 H    3.051500       2.551200     -0.6407000    
 H    2.453000       1.451600      -1.893300    
 H    1.354000       2.601200      -1.141200    
 H    3.568500      -1.166000      -1.455100    
 H    5.736900      -1.109500      -2.244500    
 H    6.565800      0.3999000      -1.844900    
 H    6.923500      -1.083900     -0.9340000    
 H    4.733400      0.9169000       1.449900    
 H    6.313200      0.1431000       1.298200    
 H    5.952000       1.625200      0.3873000    
 H   -2.058800     -0.8352000       1.856200    
 H   -2.181100      -2.128100      0.6472000    
 H   -3.370300       1.228200       1.642700    
 H   -3.666200      -1.910900      -1.294900    
 H   -5.422600       2.262700      0.7348000    
 H   -5.717400     -0.8668000      -2.194800    
 H   -6.599500       1.220000      -1.184200    


%chk=000093352-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000093352

0 1
O -1.048034 0.622813 0.413110
O 0.335119 0.140219 2.236244
C 2.363390 2.121740 0.746513
C 2.720796 0.667264 0.402526
C 1.246308 1.173439 0.204167
C 2.363074 2.525072 2.219678
C 2.784087 3.249031 -0.196478
C 3.535435 0.265534 -0.772408
C 0.193562 0.603926 1.074081
C 4.320140 -0.849025 -0.879688
C 5.108558 -1.122442 -2.150142
C 4.490469 -1.896228 0.206544
C -2.198694 0.045782 1.172262
C -3.279934 -0.337228 0.187309
C -4.630492 -0.002430 0.451260
C -2.968386 -1.073465 -0.984046
C -5.657896 -0.406656 -0.431959
C -3.991846 -1.469899 -1.871529
C -5.341078 -1.142132 -1.596333
H 2.807835 0.027790 1.288660
H 0.920028 1.366722 -0.821477
H 2.013613 1.706248 2.869774
H 3.387111 2.807933 2.528712
H 1.705202 3.399411 2.386200
H 3.837142 3.532643 -0.009591
H 2.692444 2.973450 -1.261293
H 2.154903 4.142444 -0.027238
H 3.496170 0.940470 -1.640312
H 4.957903 -0.334576 -2.908489
H 6.194467 -1.191033 -1.937732
H 4.813711 -2.092467 -2.598492
H 3.887474 -1.697390 1.106535
H 4.206949 -2.897555 -0.174272
H 5.552253 -1.967204 0.516494
H -2.553835 0.803100 1.894233
H -1.820569 -0.821238 1.746705
H -4.881493 0.577252 1.348327
H -1.922644 -1.316471 -1.202075
H -6.698945 -0.142038 -0.215466
H -3.740149 -2.034577 -2.776416
H -6.134949 -1.452827 -2.284798


