%chk=000090907.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000090907

0 1
 S   -3.714900      -2.134900     -0.1734000    
 S   -6.638000      -1.426000     -0.2223000    
 O   -2.450600       1.462600     -2.8800000E-02
 N    2.115100      0.6987000      5.3100001E-02
 N   -4.502700      0.3186000     -0.1104000    
 C    3.499400      0.3342000      0.1133000    
 C    1.108700     -0.2893000     -2.3000001E-03
 C    1.837700       2.139400      5.6899998E-02
 C    3.859900      -1.034700      8.6800002E-02
 C    1.530700      -1.689500     -3.7500001E-02
 C    2.816200      -2.055500      1.3000000E-03
 C    4.547200       1.272300      0.2015000    
 C  -0.2212000     -7.2099999E-02 -2.5599999E-02
 C    5.204400      -1.432200      0.1419000    
 C    1.837000       2.708100      -1.347100    
 C   -2.507700     -0.9185000     -0.1048000    
 C   -1.187700      -1.134700     -8.1699997E-02
 C    5.885900      0.8701000      0.2567000    
 C   -5.364900       1.497300     -8.9400001E-02
 C    6.214300     -0.4795000      0.2265000    
 C   -3.112400      0.4340000     -7.5300001E-02
 C   -5.032500     -0.9652000     -0.1664000    
 C   -5.724000       1.896700       1.326900    
 H   0.8592000       2.341900      0.5070000    
 H    2.502000       2.705200      0.7182000    
 H   0.8628000      -2.533800     -0.1057000    
 H    3.101000      -3.101800     -2.9700000E-02
 H    4.380100       2.344100      0.2082000    
 H  -0.5111000      0.9584000     -2.1400001E-02
 H    5.475000      -2.485300      0.1201000    
 H    2.809600       2.589000      -1.834300    
 H    1.088900       2.211900      -1.974300    
 H    1.600900       3.776700      -1.323200    
 H  -0.9155000      -2.179400     -0.1043000    
 H   -4.823400       2.325900     -0.5608000    
 H   -6.270300       1.331000     -0.6800000    
 H    6.672100       1.617500      0.3185000    
 H    7.254100     -0.7892000      0.2681000    
 H   -6.271000       1.102800       1.844700    
 H   -4.825200       2.114700       1.913600    
 H   -6.351200       2.793600       1.321800    


%chk=000090907-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000090907

0 1
S -3.863628 -2.150425 -0.019524
S -6.815541 -1.211980 -0.219309
O -2.505145 1.571891 -0.176522
N 2.205624 0.490356 0.187380
N -4.556222 0.386241 -0.208008
C 3.595417 0.242643 0.085023
C 1.241857 -0.546051 0.095231
C 1.737954 1.890464 0.395640
C 4.070363 -1.114946 0.033190
C 1.750178 -1.903545 0.055549
C 3.096588 -2.184115 0.040226
C 4.549795 1.299861 0.036451
C -0.137272 -0.240539 0.043868
C 5.466403 -1.372852 -0.033184
C 1.464374 2.650587 -0.918313
C -2.542962 -0.881739 -0.034831
C -1.187447 -1.200318 0.048506
C 5.927125 1.015180 -0.029968
C -5.340695 1.641232 -0.297251
C 6.398089 -0.321924 -0.058557
C -3.120657 0.456363 -0.141160
C -5.161815 -0.862322 -0.159528
C -5.772640 2.150419 1.091706
H 0.825500 1.852617 1.013278
H 2.495814 2.414641 1.001021
H 1.023553 -2.717487 0.020954
H 3.449481 -3.220788 0.009535
H 4.233907 2.345147 0.028820
H -0.471639 0.795841 -0.025318
H 5.803951 -2.415373 -0.066197
H 2.371994 2.716329 -1.544161
H 0.673501 2.157530 -1.507857
H 1.123656 3.676222 -0.689887
H -0.939849 -2.267288 0.127764
H -4.687151 2.377607 -0.795457
H -6.222004 1.432510 -0.927569
H 6.640118 1.845888 -0.068147
H 7.471415 -0.529302 -0.108606
H -6.416090 1.409600 1.596310
H -4.892143 2.356321 1.724372
H -6.345860 3.088606 0.980929


