%chk=000116393.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000116393

0 1
 O   -1.806700     -5.1800001E-02 -0.4042000    
 O   -1.715700       2.716900     -0.6327000    
 N    4.930200      -1.342100     -7.3899999E-02
 C   -2.658800     -0.2576000      0.7207000    
 C   -4.010100      0.4163000      0.4770000    
 C   -2.812700      -1.761000      0.9504000    
 C   -4.798300     -0.2631000     -0.6432000    
 C   -3.605000      -2.437700     -0.1689000    
 C   -4.954000      -1.760300     -0.3922000    
 C  -0.6394000      0.6274000     -0.1767000    
 C   0.5036000     -8.5100003E-02  0.1718000    
 C    1.698200      0.5955000      0.4073000    
 C    2.927300     -0.1625000      0.7803000    
 C  -0.6002000       2.013300     -0.2923000    
 C    3.744800     -0.5794000     -0.4506000    
 C    1.743700       1.984900      0.2929000    
 C   0.5945000       2.693800     -5.6899998E-02
 C    5.821900     -0.5305000      0.7558000    
 C    5.636400      -1.817200      -1.264600    
 H   -2.212100      0.1847000       1.622200    
 H   -3.872100       1.471000      0.2180000    
 H   -4.602000      0.3835000       1.400000    
 H   -3.325800      -1.931600       1.904800    
 H   -1.827400      -2.236400       1.019400    
 H   -4.289200     -0.1036000      -1.601500    
 H   -5.787800      0.2001000     -0.7285000    
 H   -3.760300      -3.494000      7.8500003E-02
 H   -3.024600      -2.411900      -1.099300    
 H   -5.590700      -1.917900      0.4871000    
 H   -5.464000      -2.225700      -1.243100    
 H   0.4630000      -1.168100      0.2557000    
 H    3.509500      0.4710000       1.459200    
 H    2.651100      -1.049500       1.366000    
 H    4.016000      0.3072000      -1.040200    
 H    3.105700      -1.198300      -1.094600    
 H    2.668700       2.526800      0.4711000    
 H   0.6441000       3.776000     -0.1430000    
 H    5.410100     -0.3641000       1.755700    
 H    6.056300      0.4369000      0.2968000    
 H    6.769500      -1.056800      0.9241000    
 H    5.994100     -0.9914000      -1.890400    
 H    4.983000      -2.453200      -1.872300    
 H    6.496600      -2.434400     -0.9824000    
 H   -1.496400       3.664000     -0.6616000    


%chk=000116393-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000116393

0 1
O -1.800977 0.350139 -0.663888
O -1.747672 2.918491 0.710334
N 4.771376 -1.353677 -0.777683
C -3.210296 0.561361 -0.173515
C -4.089840 -0.112777 -1.239768
C -3.404763 -0.059302 1.225216
C -3.947124 -1.653251 -1.239848
C -3.263207 -1.599538 1.216693
C -4.201995 -2.243594 0.168013
C -0.708174 0.799383 0.088580
C 0.427985 -0.042957 0.098453
C 1.634972 0.317246 0.744788
C 2.848732 -0.598002 0.685333
C -0.625232 2.058269 0.752820
C 3.669826 -0.376467 -0.613387
C 1.688098 1.564637 1.414289
C 0.566429 2.421829 1.418110
C 5.853498 -1.186377 0.213061
C 5.296407 -1.365273 -2.158959
H -3.392650 1.648941 -0.137219
H -3.831201 0.302496 -2.231495
H -5.142853 0.166740 -1.030723
H -4.421609 0.220172 1.571239
H -2.692489 0.396582 1.938540
H -2.922747 -1.915544 -1.566834
H -4.647979 -2.093597 -1.975305
H -3.478599 -2.000151 2.226199
H -2.214568 -1.867308 0.979810
H -5.257876 -2.058793 0.458986
H -4.061599 -3.341918 0.153065
H 0.338966 -1.003581 -0.421907
H 3.489211 -0.420283 1.569314
H 2.545527 -1.661283 0.707432
H 4.041552 0.682288 -0.633687
H 2.986228 -0.490249 -1.476018
H 2.603390 1.867000 1.935660
H 0.618225 3.390381 1.934938
H 5.463696 -1.316840 1.236744
H 6.350572 -0.182991 0.154862
H 6.625263 -1.959541 0.048468
H 5.777782 -0.400025 -2.462673
H 4.475116 -1.573903 -2.867507
H 6.049734 -2.167090 -2.263437
H -1.544137 3.762459 1.184606


