%chk=000124669.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000124669

1 1
 S    1.251400     -4.0899999E-02 -0.9876000    
 O   -5.102800      -2.738300      0.2261000    
 O   -4.047400       1.703100     -0.5672000    
 O   -1.420500       2.935800       1.075200    
 O  -5.2600000E-02   2.868800     -0.7564000    
 N   -2.330700      0.4611000      0.4711000    
 N    4.335600      -1.313700      4.9300000E-02
 C   -2.401100      -1.013600      0.4135000    
 C   -3.760800     -0.8251000     -0.3140000    
 C   -1.100800      -1.425000     -0.2826000    
 C   -3.508600      0.6934000     -0.1735000    
 C   -5.003700      -1.322700      0.3839000    
 C   -1.102400      0.8973000      5.7100002E-02
 C  -0.3438000     -0.1232000     -0.3609000    
 C   -6.257000     -0.6701000     -0.1883000    
 C  -0.7848000       2.320900      5.3100001E-02
 C    2.204200     -0.2118000      0.5395000    
 C    3.686800     -0.1738000      0.2904000    
 C    4.355400       1.034300      0.3148000    
 C    5.655600      -1.342000     -0.1794000    
 C    3.612500      -2.585600      2.5699999E-02
 C    5.727200       1.034800      8.0200002E-02
 C    6.388400     -0.1637000     -0.1701000    
 H   -2.484000      -1.437900       1.423200    
 H   -3.730100      -1.135400      -1.367900    
 H   -1.290100      -1.838200      -1.278700    
 H  -0.5576000      -2.162800      0.3173000    
 H   -4.966700      -1.114900       1.459800    
 H   -7.154100      -1.121300      0.2497000    
 H   -6.285300      0.4055000      5.4000001E-03
 H   -6.320200     -0.8281000      -1.270700    
 H   -4.316600      -3.133600      0.6399000    
 H    1.897600      -1.111800       1.079500    
 H    1.938600      0.6199000       1.204600    
 H   -1.228800       3.897500       1.102400    
 H    3.838900       1.968800      0.5089000    
 H    6.121800      -2.301900     -0.3669000    
 H    4.282300      -3.396500     -0.2762000    
 H    3.249900      -2.800200       1.034400    
 H    2.802300      -2.536200     -0.7037000    
 H    6.280700       1.969100      9.2200004E-02
 H    7.457300     -0.1766000     -0.3540000    


%chk=000124669-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000124669

1 1
S 1.454436 0.635059 -0.402601
O -4.491748 -2.374099 1.556367
O -4.286488 1.137888 -1.631504
O -1.942153 3.631973 -0.916399
O 0.262341 2.991369 -1.359086
N -2.527777 1.019705 0.087217
N 4.361194 -1.247205 -0.443384
C -2.434222 -0.318311 0.801030
C -3.676856 -0.808128 -0.015245
C -0.985191 -0.815819 0.507910
C -3.655902 0.581326 -0.726935
C -4.927912 -1.188495 0.785364
C -1.228043 1.449341 -0.287971
C -0.303056 0.451382 -0.025327
C -6.135062 -1.483421 -0.116452
C -0.889154 2.740273 -0.901561
C 2.190225 -0.797454 0.714409
C 3.676961 -0.689801 0.633872
C 4.419151 0.024617 1.602190
C 5.731511 -1.126834 -0.558443
C 3.622285 -2.018028 -1.493668
C 5.816934 0.156182 1.496938
C 6.482314 -0.434810 0.394954
H -2.627916 -0.229155 1.880463
H -3.440826 -1.621161 -0.725842
H -0.951996 -1.624797 -0.250355
H -0.516759 -1.207922 1.427152
H -5.176844 -0.362530 1.487572
H -7.031433 -1.716981 0.487414
H -6.372919 -0.609359 -0.748819
H -5.926102 -2.344465 -0.776226
H -5.270823 -2.759780 2.031514
H 1.791703 -1.758051 0.357740
H 1.856719 -0.608473 1.744369
H -1.680451 4.478134 -1.370709
H 3.875712 0.477049 2.435235
H 6.189429 -1.596434 -1.431057
H 4.279957 -2.160070 -2.362729
H 3.328386 -3.004609 -1.098172
H 2.732604 -1.453822 -1.812368
H 6.379399 0.709809 2.253675
H 7.564374 -0.358695 0.268566


