%chk=000157642.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000157642

0 1
 O   -2.744400     -0.9261000      4.6500001E-02
 O    1.806200      -3.294100     -0.1645000    
 O   -3.467600       1.664800      0.1582000    
 O   -1.287500      -3.360300      0.9536000    
 C    1.948800      0.3492000     -3.7300002E-02
 C    3.030000       1.385200     -3.0999999E-02
 C   0.5878000      0.6925000      1.2100000E-02
 C  -0.3858000     -0.3346000      2.3000001E-03
 C    2.344000     -0.9875000     -9.5600002E-02
 C   3.0200001E-02  -1.674700     -5.6800000E-02
 C   0.1719000       2.032600      7.1000002E-02
 C   -1.746700      8.6000003E-03  5.1500000E-02
 C   -1.184600       2.355300      0.1194000    
 C    3.872800       1.355600      -1.317300    
 C    3.943200       1.267100       1.201100    
 C    1.386600      -1.997500     -0.1053000    
 C   -2.142000       1.345400      0.1097000    
 C   -1.589900       3.791600      0.1819000    
 C  -0.8952000      -2.808200     -7.2300002E-02
 C   -3.678000     -0.8648000      -1.027000    
 H    2.649000       2.403200      1.5500000E-02
 H    3.397100      -1.254400     -0.1343000    
 H   0.8589000       2.868800      8.2099997E-02
 H    4.438500      0.4239000      -1.421900    
 H    4.595000       2.179700      -1.322000    
 H    3.236100       1.464100      -2.202400    
 H    3.357000       1.311900       2.125700    
 H    4.666200       2.090200       1.223400    
 H    4.512100      0.3314000       1.208400    
 H   -2.151700       3.994400       1.099800    
 H  -0.7227000       4.461300      0.1842000    
 H   -2.197300       4.059200     -0.6892000    
 H   -1.216500      -3.146100      -1.072300    
 H    2.778100      -3.316400     -0.1920000    
 H   -3.601000       2.624500      0.1893000    
 H   -4.610700     -0.4058000     -0.6872000    
 H   -3.904400      -1.890800      -1.332800    
 H   -3.284600     -0.3328000      -1.900700    


%chk=000157642-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000157642

0 1
O -2.707088 -0.981791 0.034283
O 1.749087 -3.405456 0.149405
O -3.488074 1.719920 -0.088682
O -1.077135 -3.919801 0.344644
C 2.031834 0.317636 0.221415
C 3.128775 1.388403 0.280574
C 0.639248 0.689153 0.066643
C -0.370324 -0.350859 -0.031559
C 2.356202 -1.037672 0.281297
C 0.004027 -1.746936 -0.019810
C 0.223698 2.058917 0.021259
C -1.755193 0.044287 -0.078892
C -1.117931 2.435069 -0.071331
C 3.459491 1.899774 -1.152934
C 4.424279 0.931878 0.991298
C 1.363843 -2.058379 0.160914
C -2.113134 1.403435 -0.087831
C -1.542357 3.892643 -0.109117
C -0.979019 -2.849692 -0.303837
C -3.819576 -1.036518 -0.938252
H 2.735439 2.245444 0.862647
H 3.401897 -1.342415 0.412539
H 0.976088 2.851152 0.069877
H 3.887261 1.081519 -1.761205
H 4.200459 2.719702 -1.110139
H 2.559290 2.270073 -1.673960
H 4.216215 0.526387 1.997849
H 5.110871 1.790828 1.101781
H 4.963077 0.160198 0.409866
H -2.166114 4.175928 0.764600
H -0.659630 4.552223 -0.089244
H -2.112277 4.139239 -1.027383
H -1.580239 -2.693244 -1.232215
H 2.730895 -3.486548 0.244907
H -3.616591 2.693771 0.026767
H -4.487549 -0.171010 -0.809885
H -4.343365 -1.976560 -0.708649
H -3.427479 -1.064299 -1.973844


