%chk=000158578.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158578

0 1
 O   -4.841200      0.6989000       1.100500    
 O    3.545400     -0.8702000      0.5976000    
 O    5.329200      -2.201000     -2.3000000E-02
 C   4.2100001E-02   1.334800     -5.7200000E-02
 C    1.254700      0.4401000     -0.5083000    
 C   -1.201600      0.3724000      0.1713000    
 C   -1.524300     -0.5134000      -1.092900    
 C    2.686500       1.091300     -0.4618000    
 C   0.9256000     -0.2772000      -1.830600    
 C   0.4028000       2.030100       1.281600    
 C  -0.2701000      -1.207800      -1.650100    
 C    2.880100       1.832800      0.8838000    
 C    1.735700       2.770500       1.243200    
 C   -2.463100       1.124900      0.7032000    
 C   -2.688800      -1.551100     -0.8489000    
 C  -0.3220000       2.427600      -1.094600    
 C    3.762100     -2.8899999E-02 -0.5094000    
 C    3.006500       2.038300      -1.634600    
 C   -3.824000     -0.8769000     -0.1524000    
 C   -3.671600      0.2925000      0.5507000    
 C   -2.267900      -2.800000     -6.1700001E-02
 C   -5.191600      -1.221600     -3.0800000E-02
 C   -5.765300     -0.2354000      0.7428000    
 C    4.404800      -1.933600      0.7327000    
 C    4.055900      -2.737000       1.948900    
 H    1.287100     -0.3543000      0.2534000    
 H  -0.9148000     -0.3330000      0.9665000    
 H   -1.889200      0.1695000      -1.873600    
 H    1.765600     -0.8901000      -2.169400    
 H   0.7256000      0.4368000      -2.635700    
 H   0.4456000       1.281000       2.083500    
 H  -0.3795000       2.743100       1.569000    
 H  -0.5086000      -1.680800      -2.610400    
 H   5.0200000E-02  -2.010000     -0.9757000    
 H    3.817700       2.403400      0.8678000    
 H    2.978300       1.121900       1.713800    
 H    1.692100       3.611300      0.5436000    
 H    1.929000       3.206700       2.230800    
 H   -2.640600       2.052100      0.1531000    
 H   -2.324100       1.387400       1.757600    
 H   -3.042900      -1.887000      -1.833100    
 H   0.5197000       3.065200      -1.352500    
 H  -0.7065000       2.014000      -2.029900    
 H   -1.084400       3.111800     -0.7095000    
 H    4.765900      0.4094000     -0.4319000    
 H    3.719300     -0.6006000      -1.442000    
 H    4.073600       2.294100      -1.645800    
 H    2.781900       1.579600      -2.602200    
 H    2.481100       2.990700      -1.574900    
 H   -1.569600      -3.417700     -0.6343000    
 H   -1.798700      -2.539000      0.8927000    
 H   -3.134000      -3.433700      0.1631000    
 H   -5.697300      -2.080800     -0.4471000    
 H   -6.767300     -6.1400000E-02   1.107000    
 H    3.039100      -3.126400       1.854800    
 H    4.148600      -2.114100       2.841900    
 H    4.746200      -3.580700       2.037500    


%chk=000158578-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000158578

0 1
O -4.925135 0.744698 1.034417
O 3.528677 -0.967273 0.606089
O 5.379340 -2.178692 -0.128830
C 0.027210 1.367890 -0.066023
C 1.259466 0.470995 -0.474579
C -1.202846 0.392150 0.168061
C -1.509733 -0.524616 -1.065936
C 2.688997 1.140619 -0.415456
C 0.954386 -0.265951 -1.801573
C 0.354764 2.082569 1.280758
C -0.235305 -1.226668 -1.594581
C 2.859100 1.914924 0.928258
C 1.684547 2.863743 1.237537
C -2.469972 1.183492 0.635625
C -2.649929 -1.577040 -0.795761
C -0.326994 2.436370 -1.144324
C 3.777946 0.037289 -0.469467
C 3.033009 2.074661 -1.613583
C -3.826752 -0.878338 -0.153171
C -3.685301 0.330818 0.497090
C -2.220105 -2.800997 0.064142
C -5.219974 -1.267172 -0.020923
C -5.852130 -0.266861 0.695746
C 4.421206 -2.042509 0.665436
C 4.053724 -2.972892 1.802182
H 1.306788 -0.314139 0.312618
H -0.909778 -0.279047 1.005107
H -1.897537 0.133353 -1.874314
H 1.829975 -0.853170 -2.138791
H 0.729676 0.455950 -2.610133
H 0.417730 1.319907 2.086648
H -0.470057 2.768936 1.552058
H -0.477568 -1.756036 -2.538563
H 0.085479 -2.000309 -0.869524
H 3.815015 2.477231 0.900692
H 2.941974 1.177175 1.751130
H 1.623854 3.673241 0.483477
H 1.858351 3.360964 2.211717
H -2.593980 2.103855 0.031725
H -2.347123 1.511915 1.684844
H -2.960284 -1.970699 -1.787344
H 0.569095 2.938789 -1.537731
H -0.858892 2.000233 -2.007524
H -0.976947 3.224153 -0.720994
H 4.779595 0.475591 -0.298537
H 3.800779 -0.492657 -1.438792
H 4.124172 2.262137 -1.648943
H 2.738377 1.632185 -2.581522
H 2.545775 3.059170 -1.524836
H -1.486039 -3.437144 -0.461099
H -1.782060 -2.481178 1.027626
H -3.101824 -3.425802 0.294726
H -5.690921 -2.168458 -0.411291
H -6.869934 -0.104269 1.038491
H 3.016750 -3.331514 1.682625
H 4.105943 -2.435117 2.764932
H 4.744422 -3.827954 1.818486


