%chk=000100638.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100638

0 1
 S   -2.756700      -1.977800      0.2192000    
 O    1.906200     -0.5301000      -1.102300    
 O    3.544600       1.475900       1.390100    
 O    4.792200     -0.4026000     -0.1263000    
 O   0.9713000      -3.154600     -0.7851000    
 O   -2.537300      -2.687400      -1.039000    
 O   -2.289000      -2.581900       1.465600    
 N   0.8764000       1.468300     -0.3430000    
 N   0.8624000       2.812800     -0.4058000    
 N  -0.7649000     -0.3088000     -7.8900002E-02
 N  -0.4033000       3.209900     -0.2861000    
 N   -3.013000      0.6258000      0.1229000    
 N   -3.435400       2.982000      5.7100002E-02
 C    2.770700      0.4020000      0.8959000    
 C    3.601600     -0.8161000      0.5440000    
 C    2.134100      0.7317000     -0.4457000    
 C    2.704600      -1.545300     -0.4513000    
 C    1.765200      -2.540800      0.2150000    
 C  -0.3796000      0.9705000     -0.1819000    
 C   -1.181900       2.095500     -0.1476000    
 C   -2.547200       1.894000      1.1600000E-02
 C   -2.106600     -0.3818000      7.1400002E-02
 C   -4.514300      -1.741300      0.4001000    
 H    2.011800      0.1431000       1.643300    
 H    3.896000      -1.407800       1.415400    
 H    2.795000       1.329500      -1.085900    
 H    3.278100      -2.045400      -1.240000    
 H    2.328800      -3.323000      0.7321000    
 H    1.093700      -2.063800      0.9347000    
 H    4.249600       1.659900      0.7462000    
 H    5.277200      -1.207000     -0.3785000    
 H   0.4664000      -2.452100      -1.229600    
 H   -4.424200       2.807200      0.1744000    
 H   -3.089000       3.928300     -2.5100000E-02
 H   -4.904800      -1.240800     -0.4881000    
 H   -4.974500      -2.727800      0.4946000    
 H   -4.709900      -1.159700       1.303000    


%chk=000100638-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100638

0 1
S -2.715260 -1.988294 0.857809
O 2.020879 -0.274076 -1.323808
O 3.689277 1.301059 1.545623
O 4.841942 -0.414807 -0.091513
O 0.709180 -2.937843 -1.134325
O -1.765580 -3.044293 0.035259
O -2.900250 -2.141400 2.468705
N 0.941787 1.588133 -0.312399
N 0.855800 2.980325 -0.635428
N -0.728102 -0.160760 0.309056
N -0.430551 3.354057 -0.514969
N -3.004744 0.755642 0.363759
N -3.478212 3.045705 -0.005893
C 2.824532 0.351856 0.888614
C 3.556982 -0.931183 0.414434
C 2.224105 0.881368 -0.457029
C 2.631860 -1.488940 -0.683783
C 1.589108 -2.459082 -0.093042
C -0.310293 1.103510 -0.016958
C -1.173074 2.229404 -0.146664
C -2.574575 2.033293 0.072480
C -2.055438 -0.197954 0.444690
C -4.437132 -2.024945 0.038936
H 2.022939 0.105221 1.603159
H 3.724958 -1.652723 1.236373
H 2.910775 1.613081 -0.919821
H 3.179152 -1.997205 -1.498460
H 2.158664 -3.310202 0.349213
H 1.021823 -1.961935 0.717961
H 4.575484 1.239681 1.093364
H 5.376807 -1.139070 -0.496718
H -0.232661 -2.942317 -0.784680
H -4.464447 2.855629 0.164555
H -3.165522 3.990714 -0.225529
H -4.272552 -1.938144 -1.043334
H -4.851534 -3.002301 0.322791
H -5.001827 -1.180704 0.453975


