%chk=000065819.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000065819

0 1
 S   0.1614000      -2.282800      0.1224000    
 O   -5.663400      0.4594000     -0.3406000    
 N   -2.593400      -1.244700      0.1484000    
 N   -3.913000     -0.9495000      0.1142000    
 N    3.286100      7.6200001E-02 -5.1100001E-02
 N    5.505000      0.2741000     -9.9600002E-02
 C   -2.160500       1.175800     -1.6799999E-02
 C   -3.459300       1.256000     -0.8026000    
 C   -1.724600     -0.2823000      5.0700001E-02
 C   -2.316400       1.745400       1.394600    
 C  -0.2927000     -0.6335000      4.4700000E-02
 C   -4.452800      0.2429000     -0.3060000    
 C   0.8014000      0.2013000     -1.6700000E-02
 C    2.028600     -0.5224000      3.9999999E-04
 C    1.825800      -1.882900      7.4199997E-02
 C    3.549400       1.419800     -0.1245000    
 C    4.497300     -0.5679000     -3.8899999E-02
 C    4.921000       1.515000     -0.1527000    
 H   -1.410400       1.767800     -0.5511000    
 H   -3.276200       1.037700      -1.861700    
 H   -3.897700       2.257500     -0.7341000    
 H   -2.646600       2.788700       1.359000    
 H   -3.039600       1.177900       1.989800    
 H   -1.361500       1.713100       1.930500    
 H   0.7177000       1.278800     -6.5700002E-02
 H   -4.520800      -1.715600      0.3859000    
 H    2.554500      -2.680700      0.1035000    
 H    2.783800       2.182400     -0.1505000    
 H    4.602800      -1.643200      1.4200000E-02
 H    5.517400       2.413800     -0.2089000    


%chk=000065819-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000065819

0 1
S 0.137505 -2.419439 0.168015
O -5.785123 0.466328 -0.318705
N -2.626081 -1.284686 0.105298
N -3.978016 -0.929268 0.094810
N 3.308554 0.064272 -0.044218
N 5.566428 0.345711 -0.075087
C -2.154292 1.175639 -0.031490
C -3.499273 1.303085 -0.792235
C -1.739517 -0.296599 0.011086
C -2.253436 1.734527 1.416702
C -0.335669 -0.674855 0.025559
C -4.535318 0.293107 -0.311599
C 0.791340 0.142232 -0.046292
C 2.038541 -0.579222 0.011799
C 1.862950 -1.954221 0.124819
C 3.548051 1.449268 -0.150435
C 4.568885 -0.550909 -0.002870
C 4.932126 1.599138 -0.167486
H -1.393383 1.759002 -0.580277
H -3.346786 1.125033 -1.875859
H -3.927205 2.313226 -0.683197
H -2.526109 2.805093 1.393464
H -3.023942 1.198856 1.999929
H -1.292394 1.631513 1.949878
H 0.725829 1.227674 -0.138263
H -4.613791 -1.701461 0.307484
H 2.615347 -2.737458 0.184122
H 2.748161 2.181014 -0.201949
H 4.700754 -1.626168 0.077593
H 5.509165 2.517666 -0.239598


