%chk=000042469.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042469

0 1
 S   0.3523000       1.220100       2.561000    
 O  -0.9402000     -0.6315000       1.360200    
 N   -3.889000      0.6589000     -0.4934000    
 C   -2.022000     -0.6749000      0.4358000    
 C   -2.997500      -1.759700      0.8816000    
 C   -2.706900      0.6935000      0.3767000    
 C   -4.254100      -1.734200      2.1400001E-02
 C   -4.866200     -0.3329000     -2.3100000E-02
 C   -4.503300       1.983800     -0.5759000    
 C   -5.638300       1.996800      -1.547800    
 C    1.001600      0.1340000      1.7000000E-03
 C   0.1183000      0.2107000       1.243300    
 C    2.062600       1.234500     -9.0499997E-02
 C    1.556600      -1.262400     -0.2817000    
 C    1.737800       2.409200     -0.7281000    
 C    1.805300      -1.621000      -1.587100    
 C    3.298300       1.005300      0.4682000    
 C    1.787400      -2.108700      0.7791000    
 C    2.703900       3.411600     -0.8121000    
 C    2.311800      -2.894700      -1.845900    
 C    4.264300       2.007900      0.3843000    
 C    2.294100      -3.382300      0.5203000    
 C    3.967100       3.211100     -0.2558000    
 C    2.556300      -3.775200     -0.7922000    
 H   -1.631400     -0.9430000     -0.5539000    
 H   -3.262200      -1.611600       1.936700    
 H   -2.516400      -2.743500      0.8292000    
 H   -2.971400       1.024500       1.390600    
 H   -1.992200       1.430500     -1.0300000E-02
 H   -4.007300      -2.061400     -0.9966000    
 H   -4.986800      -2.446500      0.4174000    
 H   -5.724300     -0.4025000     -0.6992000    
 H   -5.249200     -6.5899998E-02  0.9707000    
 H   -4.844900       2.333300      0.4067000    
 H   -3.752200       2.702700     -0.9267000    
 H   0.2967000      0.3269000     -0.8230000    
 H   -5.370600       1.526800      -2.500700    
 H   -6.537700       1.510400      -1.157600    
 H   -5.922500       3.031900      -1.770400    
 H   0.7563000       2.575100      -1.161300    
 H    1.618300     -0.9412000      -2.412600    
 H    3.552500      8.7700002E-02  0.9868000    
 H    1.611300      -1.826000       1.811100    
 H    2.472100       4.348900      -1.309500    
 H    2.516400      -3.200500      -2.867700    
 H    5.246800       1.853800      0.8209000    
 H    2.488700      -4.066800       1.340900    
 H    4.718900       3.992300     -0.3199000    
 H    2.951900      -4.766400     -0.9935000    


%chk=000042469-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000042469

0 1
S 1.241707 0.740295 3.120762
O -0.956803 -0.079083 1.933185
N -3.764852 0.455406 -0.542320
C -1.902630 -0.438575 0.816978
C -2.786094 -1.563995 1.364129
C -2.741912 0.807614 0.474042
C -3.910339 -1.869072 0.345853
C -4.687051 -0.588344 -0.023036
C -4.464948 1.666982 -1.048739
C -5.306708 1.404601 -2.310692
C 0.887775 0.380102 0.301786
C 0.345763 0.349950 1.745274
C 2.070277 1.345331 0.130059
C 1.195919 -1.044288 -0.209369
C 1.811792 2.699601 -0.196726
C 1.142506 -1.290588 -1.605940
C 3.412023 0.924510 0.293125
C 1.562954 -2.102152 0.658620
C 2.871269 3.621459 -0.348420
C 1.450382 -2.566012 -2.125906
C 4.473491 1.842591 0.139953
C 1.869767 -3.381210 0.138665
C 4.208209 3.194403 -0.179596
C 1.815318 -3.618474 -1.253138
H -1.343968 -0.787021 -0.068519
H -3.220731 -1.232662 2.327017
H -2.174629 -2.461459 1.565038
H -3.193581 1.195865 1.422621
H -2.093994 1.604855 0.062615
H -3.476408 -2.300781 -0.576112
H -4.607105 -2.616291 0.769273
H -5.433697 -0.819652 -0.801603
H -5.242886 -0.217206 0.879207
H -5.110793 2.124532 -0.254782
H -3.685068 2.414026 -1.292361
H 0.076122 0.781177 -0.339539
H -4.690574 0.915109 -3.085334
H -6.182588 0.763059 -2.107423
H -5.686286 2.360234 -2.716284
H 0.775342 3.039105 -0.323484
H 0.869809 -0.475618 -2.287914
H 3.626060 -0.120430 0.539627
H 1.610051 -1.926417 1.739603
H 2.655400 4.666579 -0.597735
H 1.406334 -2.739199 -3.207047
H 5.507475 1.504557 0.272322
H 2.152338 -4.190010 0.821968
H 5.033272 3.905980 -0.297358
H 2.053290 -4.609984 -1.654243


