%chk=000001411.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001411

0 1
 O  -3.5500001E-02   2.396300     -0.3215000    
 O  -0.1886000      -2.064300       1.628900    
 O   -4.049500      -3.303600      0.2210000    
 O   -5.534600      -2.450800      -1.294800    
 C   -2.213600       1.273600     -0.4642000    
 C   -1.747600      0.1286000      0.4625000    
 C   -1.455600       2.587500     -0.1460000    
 C   -3.751500       1.390300     -0.4330000    
 C   -2.344100      -1.209500     -3.6699999E-02
 C  -0.2379000      0.1243000      0.5703000    
 C   0.5089000       1.243500      0.1778000    
 C   -1.696900       3.145700       1.267300    
 C   -1.828000       3.682700      -1.160400    
 C   -3.796400      -1.101600     -0.3956000    
 C   -4.442000      6.1700001E-02 -0.5551000    
 C   0.4484000     -0.9758000       1.110900    
 C    1.905700       1.235500      0.2663000    
 C    2.570700      0.1259000      0.7808000    
 C    1.841200     -0.9774000       1.210100    
 C   -4.570600      -2.335000     -0.5604000    
 C    4.058000      0.1266000      0.8836000    
 C    4.782000     -0.4313000     -0.3557000    
 C    6.303600     -0.4749000     -0.1850000    
 C    6.983200      -1.058000      -1.424600    
 C    8.490900      -1.139900      -1.246400    
 H   -1.927500      0.9873000      -1.490400    
 H   -2.136500      0.3133000       1.474500    
 H   -4.085300       2.023300      -1.262900    
 H   -4.093700       1.862600      0.4938000    
 H   -2.246400      -1.950700      0.7587000    
 H   -1.788300      -1.579400     -0.9078000    
 H   -1.085400       4.040800       1.433700    
 H   -2.743700       3.419200       1.428200    
 H   -1.403200       2.437100       2.047600    
 H   -1.663200       3.335200      -2.186800    
 H   -2.870300       4.001200      -1.063000    
 H   -1.190900       4.565900      -1.031000    
 H   -5.504500      8.9400001E-02 -0.7818000    
 H    2.470100       2.106300     -6.0600001E-02
 H    2.361400      -1.835000       1.630900    
 H    4.410900       1.148300       1.077500    
 H    4.358900     -0.4510000       1.768000    
 H    4.528500      0.1806000      -1.230700    
 H    4.412300      -1.443300     -0.5650000    
 H   0.4636000      -2.705200       1.959200    
 H    6.681100      0.5374000      2.9000000E-03
 H    6.554700      -1.082600      0.6927000    
 H   -4.541300      -4.148400      0.1388000    
 H    6.755900     -0.4382000      -2.299700    
 H    6.591700      -2.061800      -1.627100    
 H    8.751500      -1.781500     -0.3986000    
 H    8.956500      -1.557900      -2.144400    
 H    8.919400     -0.1480000      -1.071600    


%chk=000001411-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000001411

0 1
O -0.040348 2.356923 -0.454043
O -0.354682 -1.832569 2.035064
O -3.738433 -3.526368 -0.564851
O -5.779030 -2.476637 -0.903324
C -2.250321 1.289760 -0.448408
C -1.783779 0.143159 0.492633
C -1.501839 2.620772 -0.179499
C -3.790699 1.403762 -0.400338
C -2.294046 -1.202596 -0.098215
C -0.271645 0.172567 0.693096
C 0.522919 1.233967 0.178160
C -1.631547 3.140456 1.268053
C -1.853931 3.711485 -1.201260
C -3.775119 -1.128135 -0.430441
C -4.454956 0.053707 -0.531062
C 0.427830 -0.835313 1.407629
C 1.934132 1.236449 0.272783
C 2.606920 0.184705 0.930300
C 1.835155 -0.846583 1.521054
C -4.550314 -2.378534 -0.653027
C 4.126534 0.150989 0.991184
C 4.763654 -0.488449 -0.274512
C 6.307062 -0.515097 -0.219056
C 6.949738 -1.139205 -1.479088
C 8.492531 -1.163367 -1.418236
H -1.966924 0.998148 -1.482301
H -2.279641 0.268710 1.479887
H -4.157969 2.061856 -1.212524
H -4.123447 1.882550 0.546212
H -2.108646 -2.019596 0.615429
H -1.713444 -1.457095 -1.007958
H -1.042918 4.066874 1.383294
H -2.684462 3.369510 1.512775
H -1.258045 2.404306 1.999922
H -1.793348 3.318245 -2.231251
H -2.870973 4.104841 -1.028767
H -1.139789 4.547931 -1.110093
H -5.533799 0.020761 -0.735433
H 2.483704 2.080577 -0.155833
H 2.336010 -1.652108 2.075526
H 4.522831 1.179563 1.102407
H 4.458727 -0.417604 1.882441
H 4.431397 0.075824 -1.168859
H 4.375434 -1.519904 -0.396056
H 0.228995 -2.480188 2.502284
H 6.688734 0.519421 -0.088060
H 6.634732 -1.082178 0.677865
H -4.309473 -4.324890 -0.729128
H 6.622296 -0.571080 -2.373540
H 6.566401 -2.171637 -1.610145
H 8.845982 -1.753792 -0.551689
H 8.927709 -1.609795 -2.331267
H 8.900636 -0.140098 -1.314535


