%chk=000169449.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000169449

0 1
 S   0.8516000       1.964400     -0.4461000    
 O   0.8488000       2.256200      -1.872700    
 O    1.084700       3.037900      0.5114000    
 O    5.624000      -2.854000     -0.3723000    
 O   -4.990500      -1.569200      -1.311200    
 N   -4.360800     -0.6027000      0.7448000    
 N    5.176900      -1.982900      0.5887000    
 C  -0.6827000       1.208900     -9.5299996E-02
 C    2.141300      0.7877000     -0.1378000    
 C   -1.369700      0.5264000      -1.099300    
 C   -1.221700       1.287800       1.188900    
 C    2.703100      0.7235000       1.122900    
 C    2.555200     -3.8400002E-02  -1.165100    
 C   -3.134500      1.6000000E-03  0.4648000    
 C   -2.595600     -7.7299997E-02 -0.8193000    
 C   -2.447600      0.6840000       1.468900    
 C    3.718000     -0.2021000       1.365600    
 C    3.570000     -0.9642000     -0.9223000    
 C    4.151400      -1.045900      0.3432000    
 C   -5.188100      -1.324500     -0.1255000    
 C   -6.433800      -1.817200      0.5674000    
 H  -0.9653000      0.4449000      -2.104400    
 H  -0.7007000       1.808900       1.987200    
 H    2.373800       1.364000       1.935000    
 H    2.109500      6.5000001E-03  -2.153700    
 H   -3.067000     -0.5888000      -1.646700    
 H   -2.855200      0.7520000       2.474500    
 H    4.161700     -0.2581000       2.356400    
 H    3.888500      -1.611000      -1.735300    
 H   -4.686200     -0.5004000       1.703900    
 H    5.596900      -2.052200       1.506900    
 H   -6.160500      -2.498100       1.378400    
 H   -7.068600      -2.350200     -0.1458000    
 H   -6.992400     -0.9694000      0.9741000    
 H    6.552700      -2.583400     -0.4705000    


%chk=000169449-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000169449

0 1
S 0.903082 2.068162 -0.432665
O 0.938830 2.386876 -2.040090
O 1.053835 3.221195 0.725756
O 5.557188 -2.993397 -0.323226
O -5.037459 -1.667021 -1.296236
N -4.447428 -0.621528 0.723399
N 5.412199 -1.878709 0.616660
C -0.739717 1.196069 -0.091435
C 2.252709 0.796457 -0.102177
C -1.375771 0.514261 -1.139811
C -1.300690 1.321777 1.189586
C 2.827897 0.748852 1.180059
C 2.685568 -0.014886 -1.163489
C -3.201471 -0.022138 0.398421
C -2.617386 -0.108963 -0.896950
C -2.540241 0.702114 1.431363
C 3.861930 -0.175061 1.414889
C 3.721779 -0.939914 -0.928093
C 4.312434 -1.024484 0.361821
C -5.292465 -1.391336 -0.090067
C -6.554653 -1.873212 0.623842
H -0.923063 0.492619 -2.136704
H -0.791273 1.912033 1.958082
H 2.488907 1.438146 1.960437
H 2.236434 0.092193 -2.156526
H -3.141447 -0.650878 -1.685456
H -3.002066 0.786591 2.423214
H 4.333849 -0.225664 2.403092
H 4.067366 -1.605977 -1.721687
H -4.768485 -0.469515 1.682928
H 5.477074 -2.257112 1.570232
H -6.305331 -2.544701 1.466447
H -7.173598 -2.427226 -0.095856
H -7.143582 -1.025881 1.021213
H 6.412246 -2.795041 -0.791272


