%chk=000090921.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000090921

0 1
 S    1.734200       1.818700      9.0400003E-02
 S    4.726500       2.121200      0.1536000    
 O    1.732300      -1.995800      0.1921000    
 N   -3.296800     -0.3638000      4.9999999E-03
 N    3.289400     -0.2345000      0.1869000    
 C   -4.742900     -0.2042000     -3.6200002E-02
 C   -4.896900       1.226400     -0.5559000    
 C   -3.650900       1.956000     -4.8599999E-02
 C   -2.626900      0.8474000      7.0000002E-03
 C   -2.719500      -1.675200      0.1906000    
 C   -1.309100       1.082800      3.4400001E-02
 C   -3.779300      -2.757100      0.1622000    
 C  -0.3189000      3.5399999E-02  8.7499999E-02
 C   0.9980000      0.2699000      0.1148000    
 C    2.016100     -0.8054000      0.1695000    
 C    4.492800      -1.060300      0.2425000    
 C    3.364400       1.152900      0.1491000    
 C    4.987400      -1.414400      -1.144800    
 H   -5.169000     -0.2957000      0.9694000    
 H   -5.255400     -0.8854000     -0.7211000    
 H   -5.826200       1.695700     -0.2199000    
 H   -4.899500       1.224500      -1.653700    
 H   -3.826600       2.352500      0.9578000    
 H   -3.367000       2.773900     -0.7174000    
 H   -2.053600      -1.916900     -0.6440000    
 H   -2.202300      -1.741700       1.153900    
 H  -0.9895000       2.120200      2.1400001E-02
 H   -4.529800      -2.628300      0.9489000    
 H   -4.282900      -2.817100     -0.8083000    
 H   -3.308000      -3.732400      0.3306000    
 H  -0.5674000      -1.004300      0.1229000    
 H    5.282300     -0.5637000      0.8137000    
 H    4.247800      -1.986900      0.7747000    
 H    4.221000      -1.957100      -1.708500    
 H    5.249800     -0.5218000      -1.720900    
 H    5.875600      -2.050700      -1.081100    


%chk=000090921-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000090921

0 1
S 1.834470 1.937810 -0.315569
S 4.930523 2.163775 -0.327213
O 1.959936 -1.928485 0.549228
N -3.463866 -0.397416 0.021107
N 3.437303 -0.111085 0.164692
C -4.915913 -0.119936 0.207476
C -5.064416 1.323700 -0.327479
C -3.678034 1.951629 -0.037740
C -2.715183 0.763356 -0.038307
C -2.898995 -1.762734 0.087800
C -1.328455 0.954541 -0.067623
C -3.918103 -2.878112 -0.198500
C -0.262531 0.019827 0.108149
C 1.091660 0.306366 0.046158
C 2.126917 -0.700168 0.278631
C 4.635226 -0.966059 0.342807
C 3.527764 1.239108 -0.138916
C 5.142892 -1.532223 -0.997427
H -5.189638 -0.188845 1.281776
H -5.528905 -0.846437 -0.348748
H -5.893562 1.865303 0.155803
H -5.253102 1.299907 -1.415087
H -3.657767 2.436380 0.957910
H -3.381188 2.713952 -0.777015
H -2.085607 -1.822372 -0.658842
H -2.438402 -1.930135 1.084740
H -1.031927 2.001597 -0.216687
H -4.727057 -2.912454 0.552120
H -4.368416 -2.772025 -1.201389
H -3.393949 -3.849225 -0.166645
H -0.464167 -1.029818 0.349813
H 5.411580 -0.347561 0.824979
H 4.330714 -1.783108 1.019101
H 4.368222 -2.154652 -1.477280
H 5.428627 -0.716388 -1.683133
H 6.032546 -2.163212 -0.820192


