%chk=000056944.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056944

0 1
 S   -2.843900       2.939500     -0.2042000    
 O  -0.9581000      -1.063900     -0.5386000    
 O   -2.555300      -2.187800      0.7676000    
 O    1.850300      -1.629600     -0.6502000    
 N    3.387700      0.1414000     -9.5100001E-02
 C   -2.362600      -1.219800     -0.2771000    
 C   -2.924700      0.1234000      0.1711000    
 C  -0.3393000      -2.155900      0.1473000    
 C   -1.254800      -2.380100       1.326200    
 C   -3.057900      -1.718500      -1.537400    
 C   -2.688500       1.247400     -0.8561000    
 C    1.082600      -1.806100      0.5310000    
 C   -4.399400     -8.2999999E-03  0.5666000    
 C    3.212300      -1.295200     -0.3559000    
 C   -1.184700       3.100900      0.4925000    
 C    2.929900      0.9249000      -1.243500    
 C    4.786800      0.4544000      0.2012000    
 C   -1.006200       4.464300       1.132900    
 C    3.037300       2.415400     -0.9691000    
 C    5.288500     -0.3463000       1.390900    
 H   -2.382700      0.3933000       1.088400    
 H  -0.3575000      -3.012500     -0.5380000    
 H   -1.111100      -1.634600       2.116300    
 H   -1.167800      -3.381300       1.756300    
 H   -2.934400      -1.032300      -2.380700    
 H   -4.121400      -1.920300      -1.379700    
 H   -2.613500      -2.670900      -1.852300    
 H   -3.422000       1.162000      -1.665800    
 H   -1.703600       1.164000      -1.326800    
 H    1.511700      -2.613400       1.135400    
 H    1.097300     -0.8747000       1.109500    
 H   -5.044500     -0.1711000     -0.3025000    
 H   -4.564800     -0.8253000       1.275900    
 H   -4.748500      0.9071000       1.056500    
 H    3.804600      -1.596600      -1.228800    
 H    3.536300      -1.921900      0.4808000    
 H  -0.4423000       2.973400     -0.3018000    
 H   -1.021700       2.323800       1.245200    
 H    3.486100      0.6765000      -2.156300    
 H    1.872200      0.7120000      -1.440300    
 H    4.895100       1.505700      0.4867000    
 H    5.438700      0.2752000     -0.6631000    
 H   3.3000000E-03   4.551100       1.548800    
 H   -1.715900       4.620100       1.952600    
 H   -1.133100       5.271600      0.4036000    
 H    2.609400       2.681100      3.7000000E-03
 H    4.068500       2.778100      -1.017100    
 H    2.476800       2.968000      -1.731800    
 H    4.587600     -0.3090000       2.231900    
 H    5.487900      -1.392000       1.137800    
 H    6.238400      7.4299999E-02   1.740400    


%chk=000056944-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000056944

0 1
S -2.419018 3.108339 0.125952
O -0.734491 -1.044116 -0.574813
O -2.393825 -2.200828 0.676260
O 2.182143 -2.207291 -0.708930
N 3.450054 -0.121261 -0.602745
C -2.204722 -1.127285 -0.348321
C -2.657953 0.235956 0.247315
C -0.112616 -2.242920 0.054062
C -1.065160 -2.505912 1.235225
C -2.923022 -1.583862 -1.619218
C -2.299425 1.405087 -0.698112
C 1.325531 -1.929124 0.447079
C -4.155275 0.232241 0.620373
C 3.517262 -1.564999 -0.628190
C -0.764067 3.118614 1.057821
C 3.121324 0.538146 -1.888002
C 4.364309 0.601443 0.309818
C -0.585975 4.477045 1.751967
C 2.048647 1.635637 -1.735950
C 3.969369 0.488223 1.797187
H -2.065701 0.351898 1.177818
H -0.128832 -3.088299 -0.662091
H -0.831306 -1.841201 2.093367
H -1.083844 -3.556696 1.565497
H -2.858760 -0.811338 -2.404469
H -3.984984 -1.794520 -1.408718
H -2.453733 -2.507149 -1.997547
H -2.998243 1.462353 -1.551604
H -1.272841 1.301307 -1.086891
H 1.634813 -2.573555 1.302062
H 1.408387 -0.864522 0.741892
H -4.796568 0.167877 -0.278752
H -4.390699 -0.621281 1.278843
H -4.406515 1.170218 1.146241
H 4.008605 -1.977397 -1.534371
H 4.059461 -1.916713 0.274813
H 0.035684 2.934120 0.319321
H -0.769388 2.294493 1.792448
H 4.036579 0.961948 -2.364608
H 2.730176 -0.241880 -2.565869
H 4.340542 1.667823 0.019506
H 5.422478 0.269789 0.181650
H 0.373961 4.503807 2.300820
H -1.398612 4.665063 2.476430
H -0.584452 5.301510 1.016969
H 1.117034 1.185553 -1.351332
H 2.374430 2.426201 -1.033793
H 1.838302 2.115697 -2.710287
H 2.960115 0.906866 1.958868
H 3.962059 -0.563668 2.137861
H 4.687863 1.040061 2.432044


