%chk=000005466.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005466

0 1
 S    4.640000      0.8854000      -1.482800    
 S    1.728100      -1.267900       1.872700    
 O   -7.213100       1.045100     -0.4937000    
 O   -5.941600       1.836000       1.225000    
 N   -2.530100      0.1429000     -0.6564000    
 C   -4.985400      0.3094000     -0.3860000    
 C   -3.625700      0.9682000     -0.1276000    
 C   -5.034900      -1.102100      0.1957000    
 C   -3.845800      -1.920400     -0.2952000    
 C   -2.525900      -1.191300     -4.0500000E-02
 C   -1.243000      0.8064000     -0.4493000    
 C  -0.1222000      4.9000001E-03  -1.110100    
 C   -6.066500       1.149700      0.2216000    
 C    1.210300      0.6859000     -0.9240000    
 C    2.313500      0.2095000     -0.3033000    
 C    3.501100       1.015500     -0.2267000    
 C    2.243500      -1.115100      0.2616000    
 C    3.859000       1.901600      0.7437000    
 C    2.542500      -2.299400     -0.3347000    
 C    5.117200       2.504000      0.4542000    
 C    2.343400      -3.389300      0.5610000    
 C    3.065500       2.221100       1.956600    
 C    3.016000      -2.471700      -1.730600    
 C    5.652700       2.041300     -0.7276000    
 C    1.901300      -2.969700       1.796300    
 H   -5.143400      0.2700000      -1.472500    
 H   -3.616300       1.951800     -0.6156000    
 H   -3.480200       1.147300      0.9470000    
 H   -5.970900      -1.599100     -8.5699998E-02
 H   -5.022800      -1.060600       1.292700    
 H   -3.835600      -2.893300      0.2093000    
 H   -3.957100      -2.118100      -1.369100    
 H   -2.339700      -1.126700       1.039600    
 H   -1.766400      -1.848800     -0.4687000    
 H   -1.034700      0.9391000      0.6211000    
 H   -1.270600       1.807700     -0.8986000    
 H  -0.3115000     -7.1400002E-02  -2.188700    
 H  -5.9900001E-02  -1.015900     -0.7389000    
 H    1.260200       1.684300      -1.361100    
 H   -7.934800       1.587600     -0.1102000    
 H    5.610600       3.239400       1.077100    
 H    2.514200      -4.430600      0.3184000    
 H    3.247700       1.477500       2.738700    
 H    3.341400       3.202100       2.358700    
 H    1.992200       2.250700       1.743600    
 H    2.814300      -3.486500      -2.090700    
 H    2.516400      -1.781400      -2.417600    
 H    4.096200      -2.306100      -1.790600    
 H    6.590200       2.326700      -1.183500    
 H    1.671800      -3.581000       2.657600    


%chk=000005466-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000005466

0 1
S 5.349174 0.351341 -0.337679
S 3.276972 -2.011096 1.779961
O -7.229886 0.859183 -1.024086
O -6.020396 2.479158 0.112695
N -2.470464 0.019294 -0.303416
C -4.916075 0.359156 -0.562655
C -3.579047 0.987497 -0.113751
C -5.205475 -0.941753 0.244629
C -4.005592 -1.902963 0.110580
C -2.688718 -1.207286 0.507390
C -1.145315 0.642584 -0.059322
C 0.021980 -0.172684 -0.672061
C -6.052739 1.353358 -0.434058
C 1.337061 0.555047 -0.526009
C 2.530827 0.027310 -0.082593
C 3.687307 0.910670 0.171285
C 2.699609 -1.425184 0.150447
C 3.747278 2.183608 0.752490
C 2.488347 -2.499591 -0.718339
C 5.091468 2.719920 0.785112
C 2.766475 -3.781836 -0.104015
C 2.572712 2.936247 1.342813
C 2.064042 -2.366119 -2.164837
C 6.055294 1.886074 0.246553
C 3.187300 -3.704745 1.211134
H -4.833439 0.075931 -1.630822
H -3.368148 1.889804 -0.715399
H -3.674410 1.318856 0.951371
H -6.135138 -1.411112 -0.121281
H -5.358913 -0.679912 1.311220
H -4.159510 -2.792004 0.751098
H -3.924745 -2.252417 -0.936535
H -2.715839 -0.959718 1.602250
H -1.842792 -1.897925 0.348522
H -0.953907 0.797661 1.033739
H -1.156581 1.646169 -0.527965
H -0.222175 -0.333941 -1.743151
H 0.094738 -1.170789 -0.205085
H 1.323013 1.624641 -0.783386
H -7.954217 1.533978 -0.916083
H 5.324636 3.698393 1.214824
H 2.664959 -4.728509 -0.642260
H 2.878893 3.469786 2.260729
H 2.177667 3.694902 0.639483
H 1.741613 2.255916 1.595482
H 0.998985 -2.637302 -2.300930
H 2.193802 -1.333234 -2.527976
H 2.659834 -3.038332 -2.808411
H 7.128469 2.046102 0.159666
H 3.462267 -4.509434 1.890833


