%chk=000031291.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031291

0 1
 O   -7.813800       1.232300     -0.1209000    
 C    1.215700     -0.4888000      0.1451000    
 C  -0.1070000      0.2816000      0.2102000    
 C    2.446700      0.4206000      0.1620000    
 C   -1.339600     -0.6220000      0.1173000    
 C    3.767900     -0.3459000      3.7500001E-02
 C   -2.629000      0.2029000      0.1148000    
 C    5.039100      0.5083000      7.0699997E-02
 C   -3.896600     -0.6475000     -1.3200000E-02
 C    6.323400     -0.3013000     -0.1196000    
 C   -5.217700      0.1258000     -4.4100001E-02
 C    7.557000      0.6018000     -8.6000003E-02
 C   -6.447100     -0.7752000     -0.1100000    
 C    8.839300     -0.2011000     -0.2373000    
 C   -7.738200      8.2999999E-03 -0.1265000    
 H    1.268500      -1.188000      0.9885000    
 H    1.231900      -1.094100     -0.7698000    
 H  -0.1445000      0.8548000       1.144700    
 H  -0.1333000       1.010300     -0.6097000    
 H    2.376300       1.142400     -0.6609000    
 H    2.454000       1.000700       1.092800    
 H   -1.348500      -1.321800      0.9612000    
 H   -1.287300      -1.220400     -0.8001000    
 H    3.823300      -1.085900      0.8461000    
 H    3.752700     -0.9149000     -0.9008000    
 H   -2.685900      0.7915000       1.038800    
 H   -2.600100      0.9194000     -0.7154000    
 H    5.082600       1.043400       1.027400    
 H    4.973800       1.271000     -0.7152000    
 H   -3.824700      -1.251700     -0.9265000    
 H   -3.924600      -1.356500      0.8241000    
 H    6.283200     -0.8352000      -1.076600    
 H    6.397300      -1.058200      0.6704000    
 H   -5.214100      0.8061000     -0.9050000    
 H   -5.280300      0.7604000      0.8491000    
 H    7.498100       1.343000     -0.8915000    
 H    7.589500       1.153300      0.8610000    
 H   -6.421200      -1.391900      -1.014600    
 H   -6.477000      -1.442000      0.7582000    
 H    8.853100     -0.7421000      -1.188800    
 H    8.944600     -0.9289000      0.5737000    
 H    9.708200      0.4639000     -0.2117000    
 H   -8.654200     -0.6071000     -0.1508000    


%chk=000031291-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000031291

0 1
O -7.972060 1.207456 0.210415
C 1.213987 -0.478520 -0.029802
C -0.106447 0.322176 0.029960
C 2.474763 0.413423 0.024082
C -1.366566 -0.570567 -0.026131
C 3.795107 -0.387577 -0.034385
C -2.686973 0.229194 0.040798
C 5.056050 0.504497 0.019213
C -3.945847 -0.664989 -0.020781
C 6.376913 -0.295392 -0.043098
C -5.262288 0.138530 0.061265
C 7.637278 0.598007 0.015721
C -6.508796 -0.761837 -0.009213
C 8.952476 -0.207969 -0.055731
C -7.837208 -0.032977 0.080541
H 1.241623 -1.202313 0.811703
H 1.233445 -1.084030 -0.960319
H -0.126536 0.926206 0.961275
H -0.133500 1.047214 -0.810322
H 2.447883 1.136664 -0.817851
H 2.455159 1.019630 0.954081
H -1.336251 -1.298566 0.811685
H -1.348064 -1.171126 -0.959902
H 3.822369 -1.110781 0.807627
H 3.814771 -0.993889 -0.964366
H -2.707283 0.826023 0.976448
H -2.716171 0.960303 -0.793808
H 5.037605 1.108967 0.950444
H 5.027467 1.229408 -0.821308
H -3.927938 -1.254721 -0.961727
H -3.909221 -1.402506 0.808773
H 6.398760 -0.896741 -0.976272
H 6.406003 -1.022951 0.795138
H -5.303477 0.881826 -0.758289
H -5.289208 0.724655 1.000158
H 7.604164 1.328733 -0.818174
H 7.616952 1.193813 0.951241
H -6.521712 -1.355238 -0.950455
H -6.497812 -1.524312 0.801262
H 9.013017 -0.784026 -0.998563
H 9.021213 -0.928689 0.781115
H 9.837645 0.452779 -0.006109
H -8.739795 -0.698485 0.022261


