%chk=000133091.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000133091

0 1
 S    5.602100      -1.428100      0.5606000    
 O   -2.191400       2.699000      0.2528000    
 O   -2.228400      -2.655500     -8.8500001E-02
 N    8.968000      0.3384000     -0.8642000    
 N   -1.046900     -0.7066000      0.1214000    
 N   -3.372900      0.7501000      4.3699998E-02
 C    8.115100     -0.6737000     -0.2482000    
 C    6.674700     -0.1791000     -0.2038000    
 C    1.534800      0.6151000      0.3928000    
 C  -0.9606000      0.6583000      0.2141000    
 C    4.010900     -0.6284000      0.4952000    
 C   0.2213000       1.276400      0.3388000    
 C   -3.459000     -0.6149000     -4.8700001E-02
 C    2.064500      0.2544000       1.622000    
 C    2.220100      0.3656000     -0.7863000    
 C   -2.206800       1.472300      0.1745000    
 C    3.310200     -0.3710000       1.673600    
 C    3.465800     -0.2600000     -0.7349000    
 C   -2.213000      -1.428800     -9.2000002E-03
 C    8.904300       1.591500     -0.1112000    
 C    10.34990     -0.1358000     -0.9473000    
 C   -4.641000      -1.232900     -0.1742000    
 C   -5.954400     -0.5715000     -0.2283000    
 C   -6.659800     -0.3623000      0.9469000    
 C   -6.463900     -0.1691000      -1.453500    
 C   -7.904900      0.2644000      0.8958000    
 C   -7.709100      0.4577000      -1.504400    
 C   -8.429500      0.6744000     -0.3297000    
 H    8.468000     -0.9191000      0.7628000    
 H    8.160300      -1.594300     -0.8446000    
 H    6.320400      4.2300001E-02  -1.216100    
 H    6.560600      0.7188000      0.4090000    
 H   0.2798000       2.360100      0.4127000    
 H    1.528600      0.4499000       2.547100    
 H    1.805200      0.6465000      -1.750800    
 H  -0.1841000      -1.242700      0.1504000    
 H    3.719200     -0.6505000       2.641400    
 H    3.988400     -0.4584000      -1.667200    
 H   -4.235700       1.286000      1.4700000E-02
 H    9.071600       1.446600      0.9623000    
 H    7.955300       2.114200     -0.2648000    
 H    9.668200       2.291400     -0.4721000    
 H    10.78190     -0.3275000      4.1700002E-02
 H    10.97930      0.5981000      -1.462800    
 H    10.40550      -1.060100      -1.533200    
 H   -4.699800      -2.316700     -0.2456000    
 H   -6.261900     -0.6771000       1.908100    
 H   -5.912500     -0.3323000      -2.375700    
 H   -8.465900      0.4331000       1.810400    
 H   -8.117800      0.7770000      -2.458700    
 H   -9.398900       1.162300     -0.3695000    


%chk=000133091-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000133091

0 1
S 6.167452 0.631477 1.774434
O -2.682128 1.929631 2.509547
O -1.560409 -1.829655 -1.313807
N 8.491471 -0.631885 -1.412292
N -0.837445 -0.326428 0.296344
N -3.386394 0.540371 0.792191
C 8.102320 -0.231800 -0.040692
C 6.583946 0.020863 0.030088
C 1.493407 1.092057 1.826202
C -0.988488 0.690857 1.265892
C 4.350927 0.796302 1.718979
C 0.048562 1.274851 1.961883
C -3.221942 -0.386077 -0.260549
C 2.321645 1.406411 2.949231
C 2.154828 0.660513 0.635773
C -2.385104 1.108634 1.589289
C 3.715443 1.255088 2.905371
C 3.555046 0.515233 0.580706
C -1.839875 -0.914901 -0.480707
C 8.623382 0.512105 -2.338663
C 9.678866 -1.510596 -1.448659
C -4.241098 -0.873154 -1.048680
C -5.663294 -0.514310 -1.067846
C -6.593697 -1.486113 -1.547578
C -6.177651 0.760692 -0.674983
C -7.975393 -1.217096 -1.591754
C -7.560883 1.030763 -0.728552
C -8.469093 0.042041 -1.173941
H 8.657390 0.674040 0.310982
H 8.357047 -1.055785 0.650553
H 6.038638 -0.915995 -0.166458
H 6.268997 0.794872 -0.689751
H -0.293832 1.954693 2.752273
H 1.850610 1.762955 3.872840
H 1.591138 0.507409 -0.291715
H 0.093247 -0.733319 0.161911
H 4.316989 1.495322 3.789054
H 4.012878 0.195491 -0.359663
H -4.339010 0.813102 1.053820
H 9.474059 1.190366 -2.075050
H 7.698270 1.113830 -2.345657
H 8.786356 0.139547 -3.365428
H 10.616340 -1.009772 -1.098112
H 9.847586 -1.856169 -2.484359
H 9.506697 -2.400380 -0.818084
H -3.918294 -1.670711 -1.729423
H -6.217055 -2.462747 -1.874359
H -5.496417 1.574989 -0.401975
H -8.667709 -1.984563 -1.954858
H -7.929578 2.019692 -0.434579
H -9.542945 0.254758 -1.209890


