%chk=000104788.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000104788

0 1
 S    4.442500      -1.619100      0.4836000    
 O    2.518700       2.099800     -0.3006000    
 O    1.486300       1.684600       1.757600    
 O    3.617300     -0.2165000      0.6221000    
 O   -4.203300     -0.9753000      5.4000001E-03
 O    5.946300      -1.229900      0.9818000    
 O    3.888100      -2.547300       1.451400    
 O    4.517900      -1.986300     -0.9182000    
 O   -5.208500      -1.705000       1.943600    
 N   0.5084000     -0.1203000      -1.183800    
 N   -1.290700       2.191800      0.8431000    
 N   1.7200001E-02   2.393500      -1.008300    
 N   -1.778500     -0.8103000      -1.215100    
 N  -0.2225000      -1.831300      -2.582600    
 N   -1.314400       4.244900     -0.2656000    
 N   -6.179200      -2.072100     -0.1082000    
 C   0.2952000       1.068100     -0.3410000    
 C  -0.9453000      0.8154000      0.5553000    
 C    1.659700       1.220700      0.4304000    
 C    2.220600     -0.2010000      0.4009000    
 C    1.859500     -0.6583000      -1.003800    
 C   -2.136300      0.2014000     -0.2178000    
 C  -0.5529000     -0.8945000      -1.629300    
 C  -0.8205000       2.978200     -0.1768000    
 C   -3.129300     -0.4383000      0.7534000    
 C   -5.196400      -1.593100      0.7224000    
 H  -0.7007000      0.2436000       1.456700    
 H    1.726200     -0.8184000       1.162100    
 H    2.533000     -0.2518000      -1.766700    
 H    1.886000      -1.751100      -1.065800    
 H   -2.680600      0.9787000     -0.7724000    
 H   -2.057900       2.446900       1.453700    
 H   -3.507400      0.3112000       1.458500    
 H   -2.642900      -1.246100       1.314100    
 H    1.979700       2.834500     -0.6371000    
 H   0.8357000       2.405200       1.745400    
 H  -0.9266000      -2.453700      -2.964300    
 H   0.7037000      -1.877400      -2.992200    
 H   -1.029000       4.870400      -1.011100    
 H   -1.969600       4.605500      0.4194000    
 H    6.320600     -0.4068000      0.5888000    
 H   -6.124100      -1.954700      -1.114300    
 H   -6.990600      -2.558000      0.2585000    


%chk=000104788-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000104788

0 1
S 5.196187 -1.036798 0.171938
O 1.987102 2.117917 0.493160
O 1.083699 0.734718 2.188484
O 3.736741 0.122748 0.654807
O -4.599491 -1.156640 0.136580
O 6.296522 0.416858 0.243712
O 5.649672 -2.064906 1.315255
O 5.021950 -1.566520 -1.341420
O -4.600160 1.022294 1.043749
N 0.561945 -0.374952 -1.133159
N -1.838154 1.516115 0.848316
N -0.177582 1.989455 -0.691836
N -1.503069 -1.660963 -1.135625
N 0.329537 -2.390061 -2.370485
N -1.813195 3.663970 -0.222526
N -6.458385 0.127582 -0.058823
C 0.109437 0.624508 -0.145611
C -1.184290 0.205677 0.620385
C 1.429264 0.839801 0.791337
C 2.393520 -0.308871 0.337319
C 2.043506 -0.451167 -1.161646
C -2.143152 -0.668958 -0.266134
C -0.260566 -1.448241 -1.521842
C -1.279713 2.414350 -0.039073
C -3.207131 -1.365375 0.626749
C -5.174755 0.078138 0.422578
H -0.926108 -0.285712 1.571576
H 2.125592 -1.227800 0.894044
H 2.482459 0.384636 -1.735636
H 2.392330 -1.407215 -1.574236
H -2.684502 0.052707 -0.918863
H -2.844401 1.515249 1.101111
H -3.163842 -1.016586 1.674512
H -3.077034 -2.455016 0.570286
H 1.257059 2.531002 -0.133641
H 1.600189 1.434177 2.665005
H -0.280906 -3.163802 -2.627718
H 1.062419 -2.122606 -3.023226
H -1.371761 4.285731 -0.894015
H -2.620164 3.980400 0.307345
H 5.664722 1.196086 0.309291
H -6.854266 -0.675916 -0.541790
H -7.005822 0.971786 0.082961


