%chk=000091716.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000091716

0 1
 S    3.160900       1.933800      0.2420000    
 O   0.7210000      0.8760000      0.2100000    
 O   -1.803200       1.436900      0.2361000    
 N   -2.611900     -0.7566000     -8.0000004E-03
 N    2.518800     -0.5513000     -1.1600000E-02
 C   -3.998000     -0.3373000     -4.3600000E-02
 C   -1.608700      0.2219000      0.1352000    
 C  -0.1681000     -0.2561000      0.1150000    
 C    4.444600      0.7954000      7.0400000E-02
 C    3.903900     -0.4880000     -5.3300001E-02
 C   -2.300200      -2.189300     -0.1225000    
 C   -4.283300      0.9010000     -0.5528000    
 C   -4.945200      -1.202500      0.4342000    
 C    2.027800      0.6566000      0.1399000    
 C    5.830200       1.021800      4.6999998E-02
 C    4.783400      -1.581800     -0.2057000    
 C   -5.618000       1.304800     -0.5869000    
 C   -6.279900     -0.7987000      0.4000000    
 C    6.678300     -7.7900000E-02 -0.1049000    
 C    6.163900      -1.363700     -0.2298000    
 C   -6.616300      0.4550000     -0.1106000    
 H   2.3000001E-03 -0.9269000      0.9640000    
 H   2.2800000E-02 -0.7609000     -0.8381000    
 H   -3.007000      -2.676100     -0.8021000    
 H   -2.360000      -2.637900      0.8738000    
 H   -1.299300      -2.365000     -0.5178000    
 H   -3.570100       1.562500      -1.027700    
 H   -4.711000      -2.174900      0.8533000    
 H    6.239000       2.022900      0.1440000    
 H    4.392300      -2.590400     -0.3041000    
 H   -5.883400       2.271600      -1.005100    
 H   -7.057100      -1.458900      0.7737000    
 H    7.754200      7.5400002E-02 -0.1254000    
 H    6.839000      -2.206900     -0.3472000    
 H   -7.656000      0.7677000     -0.1413000    


%chk=000091716-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000091716

0 1
S 3.245851 2.005576 0.368311
O 0.743154 0.952259 0.104918
O -1.831967 1.612372 -0.015557
N -2.610469 -0.606860 -0.162341
N 2.578028 -0.577040 -0.119056
C -4.014191 -0.264248 -0.085047
C -1.605157 0.376635 -0.093411
C -0.168796 -0.185382 -0.121993
C 4.560400 0.756409 0.179617
C 3.990084 -0.535802 -0.071494
C -2.263637 -2.048285 -0.189335
C -4.523196 0.920920 -0.679873
C -4.908984 -1.151268 0.570547
C 2.068054 0.618898 0.083339
C 5.951619 0.947775 0.255034
C 4.842001 -1.649643 -0.248953
C -5.904176 1.201195 -0.614307
C -6.289482 -0.861968 0.624935
C 6.788857 -0.178306 0.075197
C 6.237714 -1.462555 -0.174124
C -6.796617 0.316070 0.033381
H 0.005853 -0.942644 0.664395
H 0.074754 -0.647095 -1.098578
H -3.070523 -2.600741 -0.695638
H -2.127404 -2.470141 0.825482
H -1.340336 -2.218075 -0.764640
H -3.844484 1.617599 -1.172967
H -4.534724 -2.057164 1.058469
H 6.382467 1.935195 0.446648
H 4.404128 -2.633857 -0.440418
H -6.282753 2.118787 -1.078031
H -6.964270 -1.555882 1.138372
H 7.875420 -0.052930 0.129611
H 6.905795 -2.319622 -0.310269
H -7.867312 0.542018 0.077877


