%chk=000158688.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158688

0 1
 O   0.2744000       1.276900      0.7013000    
 O   -4.334800       1.294700       1.151300    
 O   -4.448100      0.4690000     -0.9703000    
 O   0.8191000       2.506100      -1.172400    
 O    3.436700       2.440500     -0.5442000    
 C   -3.010300     -0.5954000      0.6694000    
 C   -1.785800     -0.9244000      -1.565400    
 C   -2.643600      -1.572100     -0.4648000    
 C   -1.760700      0.1173000       1.212500    
 C  -0.9125000      0.7550000      0.1110000    
 C  -0.5425000     -0.2593000     -0.9683000    
 C   -3.712400      -1.354100       1.803800    
 C   -1.388700      -1.960900      -2.616000    
 C   -4.002400      0.4245000      0.1667000    
 C    1.138100       1.905900     -0.1540000    
 C    2.566300       1.728400      0.3231000    
 C    2.993500      0.2815000      0.3559000    
 C    2.794600     -0.4602000       1.509900    
 C    3.577900     -0.2807000     -0.7684000    
 C    3.189600      -1.797700       1.540400    
 C    3.972900      -1.618200     -0.7379000    
 C    3.778700      -2.376700      0.4165000    
 H   -2.367800     -0.1539000      -2.083500    
 H   -3.551600      -1.996200     -0.9140000    
 H   -2.088500      -2.420200     -4.0199999E-02
 H   -1.136000     -0.6050000       1.757800    
 H   -2.014200      0.8831000       1.957000    
 H   -1.475900       1.587100     -0.3308000    
 H   0.1243000      -1.020900     -0.5415000    
 H   2.9400000E-02  0.2095000      -1.776800    
 H   -4.659000      -1.790800       1.463900    
 H   -3.084400      -2.171100       2.177000    
 H   -3.939400     -0.7053000       2.657600    
 H   -2.276700      -2.414400      -3.068700    
 H  -0.8039000      -1.497600      -3.417700    
 H  -0.7847000      -2.762300      -2.177200    
 H   -4.978300       1.967900      0.8433000    
 H    2.665700       2.183600       1.315500    
 H    3.229200       3.386600     -0.4556000    
 H    2.336500     -1.9099999E-02   2.390500    
 H    3.726200      0.2831000      -1.684600    
 H    3.037700      -2.388400       2.439000    
 H    4.428100      -2.070400      -1.614200    
 H    4.085100      -3.418400      0.4397000    


%chk=000158688-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000158688

0 1
O 0.348055 0.651944 0.657639
O -3.898665 1.923263 0.823460
O -4.858082 0.753853 -0.927153
O 0.959807 2.078754 -1.088485
O 3.254141 2.786277 0.164043
C -3.324375 -0.444736 0.633698
C -2.226624 -1.132318 -1.614936
C -3.184281 -1.535200 -0.464652
C -1.917576 -0.033551 1.160575
C -0.992257 0.378755 0.011092
C -0.840406 -0.722238 -1.048463
C -4.185228 -0.977619 1.820240
C -2.083675 -2.274452 -2.642782
C -4.090779 0.758530 0.060592
C 1.215268 1.479283 -0.012607
C 2.575078 1.619806 0.703164
C 3.405720 0.332015 0.546631
C 3.041637 -0.846538 1.244982
C 4.550265 0.325553 -0.283288
C 3.809957 -2.022870 1.102643
C 5.315769 -0.854327 -0.427928
C 4.948263 -2.031947 0.262056
H -2.667948 -0.256867 -2.134437
H -4.181949 -1.767081 -0.880075
H -2.801120 -2.457738 0.018563
H -1.476335 -0.908697 1.675997
H -2.003984 0.787306 1.891509
H -1.322548 1.325925 -0.457078
H -0.354803 -1.603212 -0.582302
H -0.185825 -0.369750 -1.865981
H -5.189497 -1.280771 1.473944
H -3.692698 -1.861947 2.263848
H -4.299739 -0.210917 2.606294
H -3.065362 -2.546645 -3.071949
H -1.419045 -1.981707 -3.476276
H -1.655365 -3.179829 -2.170881
H -4.456719 2.655439 0.443804
H 2.382386 1.802844 1.776334
H 2.798548 3.023617 -0.691915
H 2.156813 -0.844307 1.891636
H 4.842842 1.252902 -0.784665
H 3.524317 -2.929166 1.648785
H 6.202761 -0.850109 -1.071616
H 5.545058 -2.944528 0.152541


