%chk=000104434.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000104434

0 1
 S    5.172200      0.3437000      0.1229000    
 O  -0.9609000      -1.781200      -1.412500    
 N   -3.837700       1.097900      0.1095000    
 C   -1.739500     -0.2859000      0.3509000    
 C   -2.744600      0.4262000     -0.5884000    
 C   -1.136600      0.6953000       1.372500    
 C   -2.434000      -1.416400       1.142400    
 C  -0.6728000     -0.9652000     -0.5371000    
 C   0.7578000     -0.6448000     -0.3758000    
 C   -4.577900      0.1468000      0.9392000    
 C   -4.735600       1.746200     -0.8466000    
 C    1.522000      -1.387200      0.5085000    
 C    1.306400      0.3919000      -1.111700    
 C    2.874900      -1.084000      0.6613000    
 C    2.659300      0.6951000     -0.9591000    
 C    3.443700     -4.2900000E-02 -7.2499998E-02
 C    5.103300       2.064400      0.6966000    
 H   -2.188600       1.169800      -1.176400    
 H   -3.144200     -0.2942000      -1.316800    
 H  -0.4108000      0.2020000       2.028300    
 H  -0.6267000       1.526600      0.8733000    
 H   -1.902400       1.131100       2.023200    
 H   -1.674000      -2.175600       1.386700    
 H   -3.161600      -1.980100      0.5518000    
 H   -2.801600      -1.148000       2.133000    
 H   -4.800800     -0.8084000      0.4570000    
 H   -5.574600      0.5673000       1.144400    
 H   -4.180000      8.2800001E-02   1.950200    
 H   -4.186200       2.465700      -1.464300    
 H   -5.511400       2.317200     -0.3243000    
 H   -5.224300       1.024300      -1.511100    
 H    1.085900      -2.199300       1.083300    
 H   0.7014000      0.9699000      -1.804600    
 H    3.470000      -1.670100       1.357300    
 H    3.082100       1.506200      -1.546600    
 H    4.478100       2.142600       1.590200    
 H    4.705600       2.717600     -8.4200002E-02
 H    6.113600       2.398900      0.9465000    


%chk=000104434-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000104434

0 1
S 5.385113 -0.162485 0.390156
O -1.013375 1.321859 -1.520475
N -4.363793 0.195324 0.667055
C -1.815735 0.219994 0.504534
C -3.191857 0.600711 -0.152545
C -1.721788 0.946539 1.878343
C -1.779010 -1.323575 0.695047
C -0.691542 0.700019 -0.457272
C 0.775698 0.459360 -0.194094
C -5.207091 -0.843209 0.042406
C -5.165263 1.327088 1.173967
C 1.328591 -0.147996 0.970112
C 1.684283 0.886422 -1.203771
C 2.717212 -0.317275 1.114065
C 3.073554 0.719268 -1.072927
C 3.605062 0.113117 0.093216
C 6.177961 0.539340 -1.159706
H -3.204076 1.693160 -0.331491
H -3.241043 0.135523 -1.156629
H -0.824349 0.672828 2.456855
H -1.716103 2.044758 1.746839
H -2.612902 0.664658 2.467817
H -0.880190 -1.675798 1.226337
H -1.818598 -1.845534 -0.279524
H -2.666807 -1.610680 1.286388
H -5.749773 -0.485398 -0.869091
H -5.962352 -1.197162 0.768721
H -4.588795 -1.708815 -0.250708
H -4.516186 2.042487 1.707255
H -5.921924 0.957137 1.890829
H -5.702869 1.887362 0.367483
H 0.686498 -0.492689 1.782482
H 1.262305 1.356827 -2.098021
H 3.115002 -0.784931 2.021669
H 3.729988 1.061693 -1.878658
H 5.960561 1.614260 -1.255686
H 5.842865 -0.011468 -2.052071
H 7.260227 0.393481 -1.021909


