%chk=000156220.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000156220

0 1
 S    4.164900      0.9379000     -0.5863000    
 F   -5.402000       1.035300      0.4101000    
 F   -4.208600      0.4054000       2.108100    
 F   -3.697800       2.229800       1.040700    
 O    1.165500       1.058200      -1.361600    
 O    5.352400      0.4603000      0.2022000    
 N    2.107800      -2.211600      0.8584000    
 C   0.3857000     -0.9013000     -0.2431000    
 C    2.836400     -0.1671000     -0.1962000    
 C   -1.033800     -0.7165000     -0.5860000    
 C    1.438900      8.8699996E-02 -0.6607000    
 C   0.7972000      -1.960400      0.4773000    
 C    3.074200      -1.279100      0.5128000    
 C   -1.873700      6.9999998E-04  0.2685000    
 C   -1.544700      -1.257600      -1.767700    
 C   -3.218800      0.1759000     -5.7200000E-02
 C    3.499800       2.400500      0.2450000    
 C    2.443600      -3.375200       1.673000    
 C   -2.889600      -1.082400      -2.093300    
 C   -3.726600     -0.3656000      -1.238200    
 C   -4.114100      0.9431000      0.8561000    
 C    4.443400       3.580900      0.1380000    
 H   9.7999997E-02  -2.715800      0.8233000    
 H    4.059300      -1.544500      0.8800000    
 H   -1.483000      0.4265000       1.190500    
 H  -0.9048000      -1.817900      -2.445200    
 H    2.546300       2.681000     -0.2072000    
 H    3.325800       2.157400       1.298400    
 H    2.369600      -3.123500       2.736200    
 H    3.462400      -3.723800       1.469400    
 H    1.769100      -4.214300       1.468300    
 H   -4.771100     -0.2396000      -1.509400    
 H   -3.284800      -1.503800      -3.013000    
 H    5.410500       3.360400      0.6022000    
 H    4.626900       3.848100     -0.9081000    
 H    4.018100       4.454500      0.6419000    


%chk=000156220-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000156220

0 1
S 4.301937 0.602135 -0.911357
F -5.866630 -0.318954 0.489263
F -4.616302 -1.932228 1.480924
F -4.395701 0.220597 2.132440
O 1.306324 0.981286 -1.734673
O 5.486457 0.049444 0.153005
N 1.891146 -1.809134 1.326021
C 0.322961 -0.630716 -0.149837
C 2.739290 -0.194942 -0.211636
C -1.088212 -0.413397 -0.566558
C 1.440600 0.120927 -0.786845
C 0.610184 -1.558102 0.850031
C 2.958252 -1.110061 0.788496
C -2.149527 -0.566352 0.363041
C -1.412907 -0.050604 -1.906027
C -3.492369 -0.400325 -0.042299
C 3.921883 2.414577 -0.282297
C 2.103852 -2.778616 2.426628
C -2.756225 0.120966 -2.298753
C -3.808860 -0.058011 -1.375902
C -4.573238 -0.595741 0.979314
C 5.187521 3.250936 -0.455563
H -0.178228 -2.167965 1.299652
H 3.979303 -1.279453 1.158495
H -1.934823 -0.781090 1.415765
H -0.603499 0.109384 -2.620905
H 3.062598 2.739454 -0.889812
H 3.636055 2.278497 0.773119
H 1.967812 -2.292834 3.409099
H 3.125591 -3.183271 2.364590
H 1.390302 -3.612944 2.333073
H -4.851426 0.075790 -1.677963
H -2.984221 0.397989 -3.332871
H 6.036480 2.785262 0.075984
H 5.459131 3.373607 -1.519144
H 5.026890 4.258490 -0.029298


