%chk=000026914.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000026914

1 1
 S   -3.899500      0.8391000     -0.7621000    
 S    3.670600      0.9148000      0.1019000    
 O   -8.823900       2.473300     -0.1896000    
 O    8.539400       2.793900      0.2910000    
 N   -4.765300      -1.198600      0.4165000    
 N    4.943900      -1.437600     -1.7800000E-02
 C   -5.857600     -0.3657000      0.3253000    
 C    5.953800     -0.4591000      5.6699999E-02
 C   -5.566400      0.8351000     -0.3099000    
 C   -4.829400      -2.504100       1.039500    
 C    5.461500      0.8636000      0.1275000    
 C   -3.680900     -0.7076000     -0.1038000    
 C    5.297300      -2.841900     -9.7300000E-02
 C    3.668600     -0.8698000     -5.5000000E-03
 C   -7.149300     -0.6355000      0.7990000    
 C    7.330100     -0.6659000      6.6100001E-02
 C   -6.552400       1.813800     -0.4973000    
 C    6.306600       1.961800      0.2061000    
 C   -5.190400      -3.579500      3.2400001E-02
 C    5.653400      -3.245300      -1.513200    
 C   -2.410800      -1.370500     -0.1389000    
 C    2.482000      -1.494600     -6.3199997E-02
 C   -7.841000       1.542500     -2.3600001E-02
 C    7.682100       1.738300      0.2144000    
 C   -8.136000      0.3379000      0.6142000    
 C    8.190100      0.4348000      0.1450000    
 C   -1.232000     -0.7299000     -8.0200002E-02
 C    1.220000     -0.7961000     -4.2700000E-02
 C   3.7599999E-02  -1.427500     -0.1009000    
 C   -8.462600       3.684600     -0.8485000    
 C    7.960400       4.095700      0.3591000    
 H   -5.552100      -2.500100       1.862200    
 H   -3.875400      -2.746800       1.522000    
 H    6.119500      -3.085200      0.5866000    
 H    4.463000      -3.466100      0.2434000    
 H   -7.416100      -1.564800       1.291000    
 H    7.764300      -1.658800      1.3900000E-02
 H   -6.268300       2.730600     -0.9990000    
 H    5.851600       2.944000      0.2572000    
 H   -4.461200      -3.628900     -0.7817000    
 H   -6.170900      -3.386300     -0.4144000    
 H   -5.225600      -4.559300      0.5186000    
 H    4.816500      -3.059700      -2.195200    
 H    6.518200      -2.693800      -1.893700    
 H    5.891700      -4.312900      -1.554300    
 H   -2.411000      -2.455900     -0.1966000    
 H    2.440800      -2.577800     -0.1340000    
 H   -9.144300      0.1458000      0.9731000    
 H    9.264900      0.2707000      0.1522000    
 H   -1.182600      0.3527000      3.5000001E-03
 H    1.184400      0.2856000      2.2700001E-02
 H   4.0000002E-03  -2.512700     -0.1682000    
 H   -8.148600       3.503900      -1.882200    
 H   -9.362100       4.307500     -0.8943000    
 H   -7.715500       4.247200     -0.2783000    
 H    7.363800       4.224200       1.268600    
 H    7.392600       4.332100     -0.5473000    
 H    8.785300       4.813700      0.4148000    


%chk=000026914-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000026914

1 1
S -3.874823 1.011192 0.051136
S 3.861521 1.147961 0.038113
O -9.048904 2.416983 -0.180375
O 8.981076 2.736363 -0.237655
N -4.949794 -1.391462 0.343816
N 5.023204 -1.221323 0.263928
C -6.061147 -0.519345 0.209288
C 6.101513 -0.308171 0.131825
C -5.686163 0.838060 0.054589
C -5.123098 -2.858024 0.518004
C 5.677870 1.038173 0.011311
C -3.706194 -0.791940 0.260982
C 5.251267 -2.685103 0.393732
C 3.758327 -0.663878 0.212774
C -7.434607 -0.864370 0.220885
C 7.485922 -0.606017 0.116248
C -6.623765 1.873994 -0.078888
C 6.577362 2.108425 -0.113655
C -5.163985 -3.613518 -0.825478
C 5.305428 -3.397778 -0.972457
C -2.459716 -1.445016 0.314626
C 2.536050 -1.360124 0.275047
C -7.997757 1.515642 -0.058932
C 7.963056 1.797201 -0.120813
C -8.389853 0.153516 0.087919
C 8.403734 0.446677 -0.008654
C -1.211345 -0.791092 0.263891
C 1.265289 -0.749085 0.247182
C 0.038806 -1.444093 0.302644
C -8.730684 3.844245 -0.334279
C 8.612665 4.154754 -0.356993
H -6.055587 -3.013713 1.085897
H -4.303989 -3.226644 1.157818
H 6.194691 -2.823146 0.948035
H 4.453245 -3.102661 1.029926
H -7.763800 -1.901779 0.325083
H 7.851552 -1.633506 0.193307
H -6.302495 2.911620 -0.194652
H 6.219147 3.136655 -0.202173
H -4.224528 -3.481742 -1.389417
H -5.996273 -3.260490 -1.458351
H -5.307446 -4.692675 -0.641512
H 4.355627 -3.283912 -1.522781
H 6.116995 -2.994220 -1.602009
H 5.490983 -4.475913 -0.823554
H -2.459767 -2.538559 0.390220
H 2.574354 -2.453717 0.339123
H -9.458789 -0.075470 0.091602
H 9.479819 0.254825 -0.025171
H -1.198195 0.307731 0.186231
H 1.213793 0.349013 0.175151
H 0.057696 -2.540772 0.379235
H -8.146700 4.023328 -1.256948
H -9.705524 4.345196 -0.408778
H -8.180730 4.225273 0.547033
H 8.063588 4.498710 0.539975
H 8.009064 4.332630 -1.267168
H 9.568819 4.689993 -0.435084


