%chk=000154104.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000154104

0 1
 S    3.894700      -2.193800      0.1952000    
 O  -0.4332000       2.508600      0.5269000    
 O   0.8702000      -1.370800      0.3672000    
 N   -4.324500     -0.8974000      -1.037500    
 N   -1.033400      0.4254000     -0.3316000    
 N    3.568000       1.607400     -0.2640000    
 C   -3.117700      0.2124000      0.9831000    
 C   -2.461400      0.6217000     -0.3507000    
 C   -4.590900      0.6488000      0.9103000    
 C   -3.106500      -1.322000       1.101200    
 C   -3.132600     -0.1511000      -1.504200    
 C   -5.239300      3.5200000E-02 -0.3425000    
 C   -3.880900      -1.932300     -7.8100003E-02
 C  -0.1480000       1.392100      0.1076000    
 C    1.257900      0.9542000      3.3300001E-02
 C    1.695900     -0.4829000      0.1778000    
 C    2.214300       1.879200     -0.1740000    
 C    3.130600     -0.6860000      7.1500003E-02
 C    4.027000      0.3377000     -0.1427000    
 C    5.368000     -0.1088000     -0.2092000    
 C    5.441800      -1.477700     -3.9500002E-02
 H   -2.616700      0.6712000       1.842300    
 H   -2.638500       1.695000     -0.5038000    
 H   -4.662900       1.742100      0.8710000    
 H   -5.125100      0.3200000       1.809700    
 H   -3.569200      -1.629100       2.046800    
 H   -2.077000      -1.697800       1.110800    
 H   -3.433700      0.5540000      -2.289800    
 H   -2.436900     -0.8459000      -1.992300    
 H   -6.162000     -0.4892000     -6.4599998E-02
 H   -5.549700      0.8301000      -1.032300    
 H   -3.254500      -2.671700     -0.5926000    
 H   -4.750000      -2.490900      0.2917000    
 H  -0.6835000     -0.4796000     -0.6309000    
 H    2.003700       2.935800     -0.2949000    
 H    4.174500       2.405600     -0.4239000    
 H    6.234400      0.5198000     -0.3701000    
 H    6.328800      -2.095600     -4.1700002E-02


%chk=000154104-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000154104

0 1
S 3.985096 -2.295034 -0.466575
O -0.422404 2.580376 0.085379
O 0.897234 -1.498455 -0.540281
N -4.348953 -1.026249 -0.925374
N -1.052109 0.371357 -0.384604
N 3.613018 1.615625 0.151195
C -3.193570 0.358342 0.949456
C -2.495235 0.639082 -0.420571
C -4.682879 0.779878 0.820693
C -3.116012 -1.155189 1.286393
C -3.215948 -0.250123 -1.504642
C -5.339518 -0.084143 -0.320220
C -3.830111 -1.949533 0.131041
C -0.127001 1.353329 -0.128081
C 1.311044 0.886709 -0.121451
C 1.716718 -0.520804 -0.325998
C 2.260636 1.876338 0.105735
C 3.155230 -0.711768 -0.260922
C 4.086430 0.317150 -0.031464
C 5.460354 -0.118344 -0.013081
C 5.568375 -1.481303 -0.229666
H -2.692650 0.955606 1.731633
H -2.609167 1.715341 -0.645907
H -4.752018 1.860643 0.591977
H -5.197038 0.617987 1.787278
H -3.609216 -1.340358 2.259369
H -2.061349 -1.469836 1.394581
H -3.608270 0.379764 -2.322842
H -2.500986 -0.965780 -1.952366
H -6.182808 -0.684489 0.066659
H -5.734211 0.556955 -1.129698
H -3.134931 -2.659063 -0.353654
H -4.685289 -2.534706 0.515252
H -0.670015 -0.586651 -0.522081
H 1.922438 2.906160 0.256691
H 4.272299 2.376757 0.319417
H 6.317929 0.538542 0.150813
H 6.476589 -2.080415 -0.268587


