%chk=000066856.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000066856

0 1
 S   -3.704200      -1.290500      5.7000001E-03
 O   -4.950600      -1.312500     -0.7507000    
 O   -3.687900      -1.857400       1.348700    
 N   -2.484100      -2.041100     -0.9516000    
 N    2.886200      -1.352600      0.5842000    
 C   -3.163400      0.3673000      9.2200004E-02
 C   -1.111900      -1.865700     -0.5584000    
 C    1.540000      -1.524600      0.2002000    
 C   -3.574700       1.285700     -0.8738000    
 C   -2.320300      0.7735000       1.126500    
 C  -0.6936000      -2.302200      0.6929000    
 C  -0.2191000      -1.260600      -1.434900    
 C   -2.299700       3.016400      0.2286000    
 C   0.6374000      -2.130900       1.073600    
 C    1.111900      -1.089500      -1.054000    
 C   -3.142700       2.610200     -0.8057000    
 C   -1.888400       2.098100       1.194700    
 C    3.855800     -0.3854000      0.2555000    
 C   -1.838000       4.432800      0.3021000    
 C    5.208600     -0.7292000      0.2360000    
 C    3.466000      0.9194000     -5.1199999E-02
 C    6.168800      0.2289000     -8.9000002E-02
 C    4.426300       1.877500     -0.3762000    
 C    5.777600       1.532300     -0.3951000    
 H   -2.644600      -2.038700      -1.967600    
 H   -4.225000      0.9905000      -1.692300    
 H   -1.993900      8.1000000E-02   1.896600    
 H   -1.367900      -2.803600       1.379400    
 H  -0.5426000     -0.9208000      -2.415000    
 H   0.9605000      -2.479100       2.051300    
 H    1.797400     -0.6336000      -1.763100    
 H   -3.469900       3.316300      -1.564200    
 H   -1.234300       2.403500       2.007100    
 H    3.221900      -2.066700       1.224400    
 H  -0.8394000       4.499500      0.7472000    
 H   -1.774200       4.880400     -0.6956000    
 H   -2.532700       5.023400      0.9074000    
 H    5.526100      -1.741700      0.4719000    
 H    2.422900       1.222800     -2.2700001E-02
 H    7.221000     -3.9799999E-02 -0.1036000    
 H    4.122500       2.893800     -0.6095000    
 H    6.525300       2.278600     -0.6469000    


%chk=000066856-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000066856

0 1
S -3.615402 -1.235363 0.210336
O -5.086311 -1.535418 -0.426475
O -3.173967 -1.747728 1.696518
N -2.235233 -2.148578 -1.081416
N 3.168940 -1.613459 0.548382
C -3.375059 0.645965 0.198759
C -0.900696 -1.928111 -0.695785
C 1.830634 -1.657518 0.124808
C -4.154786 1.411137 -0.685403
C -2.424216 1.206687 1.068394
C -0.401031 -2.655087 0.430985
C -0.004344 -1.053645 -1.387206
C -3.012426 3.427110 0.164460
C 0.929580 -2.511018 0.835869
C 1.341489 -0.940647 -1.009401
C -3.964342 2.810531 -0.691348
C -2.249754 2.608173 1.039394
C 4.189679 -0.681092 0.232578
C -2.842483 4.935559 0.171977
C 5.542740 -1.115132 0.318220
C 3.920536 0.675686 -0.100001
C 6.599188 -0.217269 0.066687
C 4.987055 1.561164 -0.363172
C 6.330419 1.126215 -0.286555
H -2.479629 -1.674097 -1.976123
H -4.905138 0.928188 -1.320461
H -1.861863 0.568718 1.757727
H -1.085645 -3.318023 0.966571
H -0.367812 -0.489141 -2.255672
H 1.291910 -3.065844 1.710443
H 2.020104 -0.325220 -1.605020
H -4.567340 3.431830 -1.363789
H -1.516420 3.071071 1.710063
H 3.454924 -2.377533 1.164308
H -1.808373 5.227323 0.425273
H -3.095294 5.378289 -0.807048
H -3.508074 5.401097 0.924568
H 5.760119 -2.160760 0.570047
H 2.891982 1.046547 -0.109553
H 7.633930 -0.570432 0.136787
H 4.763972 2.604480 -0.613531
H 7.151541 1.821047 -0.490097


