%chk=000108428.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000108428

0 1
 O   -3.184600      -1.033900      0.7971000    
 C    1.993500      -1.072000     -4.2800002E-02
 C   0.8294000     -7.6399997E-02 -0.3854000    
 C    1.109000       1.422200     -6.7100003E-02
 C    3.338700     -0.5063000     -0.5646000    
 C    2.486500       1.855300     -0.5878000    
 C    3.608200      0.9313000     -0.1347000    
 C  -0.5460000     -0.5138000      0.1393000    
 C    1.755200      -2.421600     -0.7657000    
 C    2.116800      -1.395100       1.459400    
 C   0.9169000       1.850400       1.391500    
 C   -1.654800      0.2802000     -0.5283000    
 C   -3.029800     -0.1365000     -2.9700000E-02
 C   -4.200600      0.6312000     -0.6214000    
 C   -5.538400      0.1850000     -5.9799999E-02
 H   0.7558000     -0.1089000      -1.485000    
 H   0.3957000       2.024700     -0.6447000    
 H    3.347300     -0.5428000      -1.662700    
 H    4.171300      -1.140100     -0.2335000    
 H    2.708600       2.883600     -0.2780000    
 H    2.461900       1.865400      -1.685600    
 H    4.552300       1.267500     -0.5795000    
 H    3.739300      0.9914000      0.9507000    
 H  -0.6074000     -0.4246000       1.229200    
 H  -0.7170000      -1.573100     -8.0100000E-02
 H    1.580400      -2.274700      -1.837400    
 H    2.627200      -3.079000     -0.6646000    
 H   0.8992000      -2.965900     -0.3552000    
 H    1.184600      -1.801600       1.864500    
 H    2.893400      -2.150900       1.629700    
 H    2.394600     -0.5290000       2.059600    
 H  -9.4800003E-02   1.645300       1.750900    
 H    1.626100       1.379600       2.071800    
 H    1.063200       2.933100       1.484100    
 H   -1.632400      0.1341000      -1.613800    
 H   -1.570700       1.348800     -0.3128000    
 H   -4.191200      0.4847000      -1.706500    
 H   -4.053800       1.695500     -0.4097000    
 H   -6.352100      0.7627000     -0.5087000    
 H   -5.717500     -0.8755000     -0.2660000    
 H   -5.576300      0.3265000       1.025400    


%chk=000108428-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000108428

0 1
O -3.249687 -1.226603 0.615740
C 1.990274 -1.075133 -0.013426
C 0.851526 -0.041091 -0.379862
C 1.179943 1.465096 -0.070859
C 3.345011 -0.558379 -0.593933
C 2.563538 1.852516 -0.661510
C 3.686058 0.895792 -0.204361
C -0.542879 -0.470141 0.152184
C 1.690062 -2.441241 -0.697197
C 2.134002 -1.339705 1.511228
C 1.054042 1.905848 1.410479
C -1.704738 0.385803 -0.387741
C -3.094542 -0.168571 -0.050460
C -4.290990 0.638310 -0.570865
C -5.657886 0.035298 -0.205805
H 0.792026 -0.086766 -1.494167
H 0.422275 2.055843 -0.629687
H 3.299097 -0.623045 -1.702406
H 4.155991 -1.242586 -0.271328
H 2.807315 2.897996 -0.385330
H 2.505331 1.820106 -1.770033
H 4.645960 1.191690 -0.671046
H 3.836733 0.975721 0.890238
H -0.565980 -0.449138 1.257152
H -0.740181 -1.520290 -0.127021
H 1.469618 -2.310627 -1.774299
H 2.568281 -3.109756 -0.611729
H 0.833980 -2.962771 -0.232852
H 1.180292 -1.675973 1.956074
H 2.878262 -2.141609 1.680236
H 2.471665 -0.451277 2.069659
H 0.098796 1.579908 1.860462
H 1.867676 1.512478 2.042692
H 1.093099 3.009805 1.476070
H -1.633763 0.484567 -1.492757
H -1.655927 1.424879 -0.000962
H -4.183460 0.735657 -1.671567
H -4.200022 1.673535 -0.179719
H -6.479056 0.656151 -0.606309
H -5.758995 -0.985806 -0.611657
H -5.775048 -0.039693 0.888773


