%chk=000125875.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000125875

0 1
 S    3.886100      0.3586000       1.498500    
 S    4.051200       1.363300      -1.344700    
 O    2.863900      -2.354300      -1.232700    
 N    1.975900      0.1053000     -0.2493000    
 N   -1.460200       1.099400      -1.282600    
 C    1.587100      -1.169800      0.4027000    
 C   0.2276000      -1.043700       1.132500    
 C  -0.7549000     -0.2873000      0.3083000    
 C  -0.3512000      0.5339000     -0.7222000    
 C    1.039200      0.7579000      -1.182300    
 C   -2.172900     -0.2157000      0.3845000    
 C    1.595300      -2.320000     -0.6093000    
 C   -2.589600      0.6594000     -0.6248000    
 C    3.237700      0.5937000     -0.1108000    
 C   -3.148000     -0.8070000       1.212800    
 C   -3.936800      0.9684000     -0.8453000    
 C   -4.498400     -0.5057000       1.002400    
 C   -4.884400      0.3684000     -1.1400000E-02
 C    3.332400       1.895100       2.273800    
 H    2.313200      -1.484900       1.154700    
 H   0.3774000     -0.4893000       2.068000    
 H  -0.1620000      -2.032900       1.397500    
 H    1.182700      0.3127000      -2.173600    
 H    1.240700       1.833000      -1.239300    
 H   0.8352000      -2.186300      -1.385700    
 H    1.418000      -3.278700     -0.1106000    
 H   -1.459000       1.741600      -2.063300    
 H   -2.862500      -1.490500       2.007400    
 H   -4.239200       1.649600      -1.633700    
 H   -5.253700     -0.9598000       1.638500    
 H   -5.938900      0.5884000     -0.1571000    
 H    2.852900      -3.091400      -1.866700    
 H    3.783000       2.760000       1.780000    
 H    3.633300       1.898300       3.324700    
 H    2.243200       1.976900       2.222500    


%chk=000125875-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000125875

0 1
S 3.735822 0.355494 1.884840
S 3.269053 2.548687 -0.275851
O 2.779263 -2.062616 -1.020543
N 1.712818 0.320863 0.062985
N -1.678559 0.964894 -1.466624
C 1.350961 -1.015169 0.629023
C -0.064492 -0.959017 1.272439
C -1.032246 -0.306375 0.317238
C -0.581603 0.484844 -0.735000
C 0.853918 0.799374 -1.051784
C -2.480186 -0.319911 0.255680
C 1.431524 -2.118426 -0.447494
C -2.860491 0.487257 -0.878664
C 2.800687 1.069057 0.449603
C -3.497347 -0.930431 1.035794
C -4.208501 0.694298 -1.239559
C -4.845381 -0.727616 0.678882
C -5.197356 0.075843 -0.445485
C 5.064945 1.651867 2.125969
H 2.092726 -1.267018 1.403130
H -0.001810 -0.396205 2.224276
H -0.386822 -1.986561 1.534248
H 1.191847 0.331535 -2.001480
H 1.035266 1.886441 -1.153256
H 0.653314 -1.969816 -1.223916
H 1.243438 -3.091349 0.054512
H -1.627822 1.589657 -2.268540
H -3.240616 -1.546243 1.905370
H -4.485710 1.311908 -2.101312
H -5.640642 -1.191106 1.273273
H -6.254728 0.216322 -0.695962
H 2.893189 -2.792218 -1.679102
H 5.664252 1.740801 1.209106
H 5.671358 1.277008 2.966803
H 4.604233 2.620526 2.364801


