%chk=000098084.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000098084

0 1
 O    4.607700       1.022100     -0.6340000    
 O    2.257900     -0.1510000      0.4096000    
 O   -1.322800     -0.3432000      0.5556000    
 O   -3.487200     -0.2100000      0.1032000    
 O   0.7922000      -1.847700     -0.1302000    
 O   -2.248600       1.732800      0.1728000    
 C    4.635400     -0.1652000      0.1760000    
 C    5.880200     -0.9308000     -0.2380000    
 C    6.828100      0.1941000     -0.5702000    
 C    5.903900       1.199000      -1.224500    
 C    3.351500     -0.9489000     -1.5200000E-02
 C    1.017300     -0.7236000      0.2990000    
 C  -4.9500000E-02  0.2498000      0.7579000    
 C   -5.837200     -0.4099000     -0.3566000    
 C   -7.125400      0.3303000     -0.7051000    
 C   -4.662400      0.5463000     -0.2072000    
 C   9.2299998E-02  0.5711000       2.235500    
 C   -8.286800     -0.6320000     -0.8958000    
 C   -2.346500      0.5167000      0.2672000    
 H    4.717700      0.1733000       1.216400    
 H    6.251600      -1.594500      0.5477000    
 H    5.693100      -1.531700      -1.136300    
 H    7.658500     -0.1051000      -1.215000    
 H    7.244600      0.6141000      0.3530000    
 H    5.808500       1.008600      -2.298700    
 H    6.236700       2.230900      -1.081200    
 H    3.383500      -1.874400      0.5712000    
 H    3.214000      -1.192400      -1.075700    
 H   6.4800002E-02   1.151600      0.1435000    
 H   -5.964700     -0.9789000      0.5727000    
 H   -5.603500      -1.150800      -1.131500    
 H   -6.985600      0.9090000      -1.625600    
 H   -7.372900       1.041900      9.1200002E-02
 H   -4.857600       1.259800      0.6018000    
 H   -4.501200       1.095000      -1.142600    
 H  -0.7012000       1.247900       2.569300    
 H    1.057500       1.037400       2.456300    
 H   1.0200000E-02 -0.3385000       2.841800    
 H   -8.084000      -1.335600      -1.709500    
 H   -9.199300     -8.0600001E-02  -1.143100    
 H   -8.473900      -1.206600      1.7000001E-02


%chk=000098084-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000098084

0 1
O 4.588990 1.246395 -0.364835
O 2.083302 0.081965 0.783980
O -1.479007 0.165791 1.676942
O -3.437370 0.036623 0.621351
O 0.308094 -1.235574 0.035928
O -1.720586 1.293738 -0.374959
C 4.417648 -0.146910 0.131664
C 5.485143 -1.012391 -0.598392
C 6.524861 0.029424 -1.084878
C 5.626170 1.234189 -1.423957
C 3.001832 -0.646239 -0.136602
C 0.749294 -0.311274 0.747681
C -0.057001 0.572870 1.716292
C -5.679848 -0.292527 -0.244840
C -6.697917 -0.029033 -1.379925
C -4.331091 0.362614 -0.534778
C 0.394528 0.425911 3.173813
C -8.067922 -0.683508 -1.100378
C -2.169644 0.563565 0.536705
H 4.593733 -0.113965 1.223756
H 5.919898 -1.778340 0.064809
H 5.033203 -1.529046 -1.467385
H 7.112732 -0.324997 -1.948864
H 7.219752 0.291488 -0.267092
H 5.153427 1.110813 -2.421477
H 6.138990 2.208981 -1.383331
H 2.909428 -1.730965 0.062452
H 2.694572 -0.443280 -1.178068
H 0.036559 1.617999 1.366535
H -6.075830 0.095902 0.712924
H -5.533983 -1.381827 -0.115512
H -6.292742 -0.413986 -2.337697
H -6.831035 1.063921 -1.512879
H -4.407379 1.462530 -0.621400
H -3.863056 -0.029887 -1.456399
H -0.215642 1.080006 3.818317
H 1.454254 0.714456 3.264698
H 0.271368 -0.615421 3.516012
H -7.968970 -1.780006 -0.994210
H -8.782768 -0.485469 -1.919571
H -8.509087 -0.294235 -0.163730


