%chk=000117589.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000117589

0 1
 O   -1.699100     -0.2400000      0.2110000    
 O    1.697000     -0.2439000     -0.2103000    
 O   -2.927400      -1.149700      -1.503100    
 O    2.963800      -1.110400       1.498000    
 N   -3.198100      -1.850100      0.6924000    
 N    3.187100      -1.864400     -0.6850000    
 N   -4.172100      -2.774600      0.3799000    
 N    4.168800      -2.780200     -0.3714000    
 C   3.9999999E-04   1.520700     -2.3000001E-03
 C   0.6694000       2.393900      -1.105600    
 C  -0.6847000       2.379100       1.102700    
 C   -1.036500      0.6104000     -0.7163000    
 C    1.054000      0.6285000      0.7103000    
 C    1.762700       3.342900     -0.6294000    
 C   -1.795400       3.308500      0.6285000    
 C   -2.639700      -1.090200     -0.3114000    
 C    2.649900      -1.080400      0.3119000    
 H  -9.5100001E-02   2.983100      -1.626700    
 H    1.106900       1.740000      -1.871500    
 H   -1.109700       1.716700       1.868300    
 H   6.8999998E-02   2.981300       1.624600    
 H  -0.5357000     -1.2400000E-02  -1.468700    
 H   -1.781300       1.219400      -1.242500    
 H   0.5656000      1.9900000E-02   1.482500    
 H    1.807100       1.247300       1.212200    
 H    2.607800       2.803700     -0.1931000    
 H    1.385900       4.060400      0.1042000    
 H    2.147700       3.916300      -1.479600    
 H   -1.430700       4.037100     -0.1005000    
 H   -2.627700       2.754500      0.1862000    
 H   -2.194500       3.869700       1.480200    
 H   -2.913300      -1.750100       1.661100    
 H    2.881000      -1.788400      -1.649300    
 H   -3.843900      -3.677200      0.7209000    
 H   -4.990900      -2.543200      0.9409000    
 H    3.834200      -3.691100     -0.6830000    
 H    4.974900      -2.561900     -0.9556000    


%chk=000117589-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000117589

0 1
O -1.730352 -0.230176 0.345968
O 1.728526 -0.223340 -0.343346
O -3.047217 -1.231614 -1.343008
O 3.041231 -1.221756 1.350662
N -3.221548 -1.845962 0.921011
N 3.223762 -1.837584 -0.912300
N -4.228128 -2.821290 0.752309
N 4.230524 -2.812000 -0.739431
C -0.004953 1.491849 -0.001683
C 0.636383 2.358837 -1.132832
C -0.649978 2.360063 1.126403
C -1.058173 0.596582 -0.692322
C 1.052096 0.603508 0.692096
C 1.736709 3.343082 -0.682355
C -1.756165 3.336150 0.672539
C -2.702803 -1.118908 -0.139507
C 2.700589 -1.110408 0.145962
H -0.168826 2.926768 -1.639145
H 1.061690 1.674412 -1.891633
H -1.070683 1.676680 1.888718
H 0.152590 2.934687 1.629304
H -0.579911 -0.077831 -1.423939
H -1.823271 1.198164 -1.214976
H 0.576705 -0.070794 1.425653
H 1.814265 1.210193 1.213197
H 2.598931 2.818323 -0.233212
H 1.363480 4.079078 0.052749
H 2.116185 3.908938 -1.552662
H -1.388072 4.069665 -0.067620
H -2.616560 2.804343 0.228228
H -2.136782 3.905136 1.540299
H -2.872348 -1.692816 1.866690
H 2.877137 -1.685969 -1.859171
H -3.908296 -3.597167 0.158353
H -5.100255 -2.408401 0.397500
H 3.909552 -3.587231 -0.145234
H 5.101367 -2.398011 -0.382766


