%chk=000001714.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001714

0 1
 S    5.260000     -0.8638000      -1.864900    
 O   -3.684500       2.121500     -0.6620000    
 O   -5.179800     -0.2154000     -0.4996000    
 N    1.029900      0.7715000      0.6491000    
 N   -1.308600      -2.637200      0.8514000    
 N   0.8197000      -1.531400       1.084700    
 C   -1.136300     -0.2886000      0.3980000    
 C   -1.879900      -1.476900      0.4840000    
 C   0.2159000     -0.3868000      0.7136000    
 C   -1.744300      0.9188000      1.2900000E-02
 C   -3.102000      0.9486000     -0.2896000    
 C   -3.236700      -1.418300      0.1754000    
 C   -3.848800     -0.2215000     -0.2082000    
 C    2.392200      0.9572000      0.3655000    
 C    3.060000      7.6800004E-02 -0.4913000    
 C    3.090900       2.024200      0.9384000    
 C   9.9999998E-03  -2.601500       1.131800    
 C    4.413700      0.2618000     -0.7725000    
 C    4.444400       2.209300      0.6573000    
 C    5.105800       1.328200     -0.1982000    
 C   -4.227900       2.934700      0.3765000    
 C   -5.547500     -0.4663000      -1.854500    
 C    5.053700      -2.444900     -0.9977000    
 H   -1.181000       1.845000     -6.7100003E-02
 H   -3.837600      -2.324600      0.2345000    
 H   0.5960000       1.583000       1.080500    
 H    2.517700     -0.7428000     -0.9576000    
 H    2.588900       2.718600       1.607700    
 H   0.4645000      -3.539500       1.426500    
 H    4.983400       3.039200       1.104700    
 H    6.161100       1.488400     -0.4051000    
 H   -5.017200       2.398400      0.9126000    
 H   -4.660600       3.829200     -7.9899997E-02
 H   -3.441800       3.242200       1.073400    
 H   -5.121400      0.2939000      -2.516800    
 H   -6.637600     -0.4220000      -1.927300    
 H   -5.216100      -1.462700      -2.163600    
 H    5.437300      -2.371300      2.3600001E-02
 H    5.615200      -3.219200      -1.527100    
 H    4.000900      -2.737800     -0.9706000    


%chk=000001714-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000001714

0 1
S 6.190721 -1.154997 0.075570
O -3.819503 2.196036 -0.102968
O -5.310918 -0.314380 -0.174545
N 1.176446 0.725256 -0.128283
N -1.154877 -2.788009 -0.024954
N 1.007017 -1.645239 -0.028384
C -1.048716 -0.302407 -0.081704
C -1.788624 -1.542790 -0.063843
C 0.408279 -0.425697 -0.077660
C -1.769684 0.927814 -0.080659
C -3.167828 0.944829 -0.092668
C -3.213519 -1.508944 -0.105992
C -3.902014 -0.295444 -0.145658
C 2.586670 0.918896 -0.114066
C 3.521244 -0.146139 -0.035992
C 3.041891 2.264071 -0.181382
C 0.187090 -2.753680 -0.002369
C 4.902835 0.145515 -0.023834
C 4.425007 2.533773 -0.168929
C 5.365363 1.485273 -0.090171
C -4.686109 2.460398 1.073836
C -5.920371 0.294525 -1.383640
C 5.171400 -2.728891 0.144060
H -1.279997 1.907964 -0.043985
H -3.762876 -2.453630 -0.122676
H 0.647767 1.595997 -0.196263
H 3.127477 -1.161382 0.009514
H 2.321863 3.090305 -0.242498
H 0.706812 -3.716526 0.038701
H 4.775291 3.570240 -0.220736
H 6.438353 1.703793 -0.081090
H -5.452983 1.673849 1.184867
H -5.155113 3.435628 0.875467
H -4.068217 2.517186 1.989479
H -5.588121 1.340111 -1.511839
H -7.006447 0.249824 -1.214448
H -5.652898 -0.300239 -2.276694
H 4.527657 -2.736557 1.037066
H 5.904336 -3.548014 0.207062
H 4.566898 -2.840320 -0.769188


