%chk=000111287.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000111287

0 1
 S   -1.495100      -2.081500      0.1018000    
 O   -1.179900      -3.156500     -0.8245000    
 O   -2.323600      -2.350600       1.265200    
 O   -5.354800      0.4694000      0.6149000    
 O   -4.850100      -1.339200     -0.6438000    
 N   -2.171800     -0.7796000     -0.7700000    
 N    4.553400      0.3171000      2.4100000E-02
 N  -0.5141000       1.862900     -0.5842000    
 N  -0.2787000       3.852500      0.3742000    
 C   -3.052300      0.1821000     -9.1499999E-02
 C   1.3400000E-02  -1.390800      0.6816000    
 C    1.090400      -1.092300     -0.1688000    
 C    2.271700     -0.5377000      0.3789000    
 C   -2.981500       1.567700     -0.7490000    
 C    3.348700     -0.2393000     -0.4716000    
 C   9.9799998E-02  -1.146000       2.052400    
 C    1.021000      -1.332100      -1.550900    
 C    2.341100     -0.2980000       1.760900    
 C   -1.754700       2.345200     -0.3639000    
 C    1.261500     -0.6007000       2.591000    
 C    3.262300     -0.4841000      -1.842400    
 C   -4.490900     -0.3139000     -7.4400000E-02
 C    2.100700      -1.029500      -2.381000    
 C   -1.610100       3.557400      0.2205000    
 C    4.714200       1.752200      0.1024000    
 C    5.625200     -0.5466000      0.4682000    
 C   0.3542000       2.811600     -0.1200000    
 H   -2.741500      0.2650000      0.9582000    
 H   -2.282800     -0.8684000      -1.787400    
 H   -3.857300       2.170100     -0.4766000    
 H   -3.010500       1.471200      -1.842600    
 H  -0.7167000      -1.361300       2.734600    
 H   0.1429000      -1.717400      -2.053200    
 H    3.228000      0.1253000       2.225800    
 H    1.328000     -0.4092000       3.658000    
 H    4.094900     -0.2514000      -2.501700    
 H    2.031700      -1.211100      -3.449700    
 H  -0.2708000      0.9970000      -1.042700    
 H   -2.376900       4.245700      0.5448000    
 H    4.101200       2.166500      0.9094000    
 H    4.415300       2.230600     -0.8368000    
 H    5.755200       2.034400      0.2925000    
 H    6.149000     -0.9738000     -0.3933000    
 H    5.243300      -1.370300       1.081300    
 H    6.358500     -4.3000001E-03   1.074500    
 H    1.425900       2.687300     -0.1784000    
 H   -6.268600      0.1133000      0.5951000    


%chk=000111287-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000111287

0 1
S -1.514790 -2.154018 -0.132993
O -1.250443 -3.148850 -1.390718
O -2.459538 -2.608707 1.120095
O -5.128712 -0.128904 1.327550
O -5.023221 -1.174259 -0.750223
N -2.243364 -0.572224 -0.924938
N 4.639608 0.414160 0.306242
N -0.785124 1.935446 -1.012038
N -0.304359 3.998337 -0.223156
C -3.108951 0.168981 0.031602
C 0.083436 -1.457056 0.609210
C 1.147117 -1.000948 -0.236284
C 2.318597 -0.473389 0.451062
C -3.261961 1.645741 -0.475250
C 3.452134 -0.002868 -0.337090
C 0.090953 -1.406982 1.998467
C 1.088319 -0.983067 -1.668213
C 2.293952 -0.356531 1.877832
C -1.975519 2.419962 -0.451551
C 1.217856 -0.817434 2.640808
C 3.311823 0.073133 -1.739444
C -4.493786 -0.477033 0.142595
C 2.143787 -0.414338 -2.386785
C -1.654958 3.697937 0.024746
C 5.548759 1.325660 -0.406076
C 5.342128 -0.491485 1.245138
C 0.190418 2.906374 -0.845786
H -2.633923 0.183021 1.026943
H -2.824127 -0.960731 -1.702511
H -3.993781 2.155607 0.176108
H -3.698105 1.611959 -1.494046
H -0.763043 -1.790274 2.566717
H 0.241959 -1.438529 -2.188839
H 3.125397 0.150691 2.374187
H 1.221044 -0.706891 3.729217
H 4.135250 0.451854 -2.351326
H 2.096527 -0.384421 -3.480983
H -0.690450 0.981909 -1.377698
H -2.306233 4.412738 0.524002
H 4.976326 2.130175 -0.896511
H 6.173337 0.811790 -1.172318
H 6.231703 1.789847 0.327327
H 6.221867 -0.956349 0.749397
H 4.679309 -1.303917 1.576417
H 5.701122 0.059510 2.135160
H 1.218415 2.776953 -1.175308
H -6.027959 -0.553680 1.371161


