%chk=000162063.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000162063

1 1
 S  -0.4218000       2.880600      0.7355000    
 S    5.279800      -1.673300      0.3275000    
 O    5.968800      -2.749600     -0.6863000    
 O    4.458600      -2.392900       1.284200    
 O    6.291700     -0.7252000      0.7580000    
 N    1.521200       1.754700     -0.5149000    
 N   -2.514800     -0.8283000      2.3700001E-02
 C    2.394000      0.7845000      -1.208200    
 C    1.956400       3.179900     -0.4023000    
 C    3.281500      9.6799999E-02 -0.1818000    
 C    1.138700       3.808800      0.7186000    
 C   0.3639000       1.511400     -1.1500000E-02
 C    4.228900     -0.8867000     -0.8519000    
 C  -0.3500000      0.2353000      1.5500000E-02
 C   -1.684900      0.2465000      2.4999999E-03
 C   -3.918500     -0.8510000      1.1300000E-02
 C   -4.603100      -2.069900      3.6800001E-02
 C   -4.641800      0.3450000     -2.7200000E-02
 C   -5.997700      -2.092500      2.4200000E-02
 C   -6.036400      0.3223000     -3.9700001E-02
 C   -6.714500     -0.8964000     -1.3900000E-02
 H    1.766700      6.8300001E-02  -1.749500    
 H    2.986500       1.335400      -1.947100    
 H    3.028800       3.213000     -0.1866000    
 H    1.761300       3.654000      -1.370500    
 H    2.670100     -0.4275000      0.5633000    
 H    3.864000      0.8417000      0.3761000    
 H   0.9755000       4.878100      0.5601000    
 H    1.635000       3.668400       1.684800    
 H    3.659000      -1.672200      -1.359200    
 H    4.869700     -0.3836000      -1.583000    
 H   0.2093000     -0.6928000      5.5999998E-03
 H   -2.216500       1.181800     -6.3699998E-02
 H   -2.061000      -1.735300      6.1000001E-02
 H    5.383300      -3.483600     -0.9876000    
 H   -4.057900      -3.010100      6.6600002E-02
 H   -4.178500       1.324800     -4.6599999E-02
 H   -6.525800      -3.041300      4.4100001E-02
 H   -6.595500       1.253100     -6.8999998E-02
 H   -7.800300     -0.9140000     -2.3499999E-02


%chk=000162063-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000162063

1 1
S -0.233198 3.768563 -0.554291
S 2.393578 -2.361675 -0.328114
O 2.683122 -1.842612 -2.091467
O 0.857260 -1.967796 0.035121
O 2.899173 -3.869339 -0.094249
N 1.965327 2.280574 -0.713606
N -1.831186 -0.599834 -0.069998
C 2.861585 1.101389 -0.828497
C 2.476856 3.661831 -0.944433
C 3.015869 0.347410 0.524611
C 1.455160 4.627675 -0.319486
C 0.603368 2.159835 -0.603677
C 3.645264 -1.038259 0.415846
C -0.042763 0.914776 -0.541205
C -1.388948 0.669400 -0.234987
C -3.160951 -1.041877 0.207782
C -3.327569 -2.398746 0.586953
C -4.284068 -0.182074 0.104098
C -4.616551 -2.889690 0.876343
C -5.566312 -0.685018 0.402819
C -5.740089 -2.035368 0.790248
H 2.485658 0.420208 -1.614757
H 3.844960 1.464882 -1.171584
H 3.466413 3.777873 -0.470436
H 2.582069 3.839086 -2.033021
H 2.040716 0.271147 1.038485
H 3.670106 0.932017 1.201829
H 1.416301 5.595586 -0.837463
H 1.607239 4.771091 0.760209
H 4.494048 -1.132622 -0.279430
H 3.875579 -1.488567 1.395364
H 0.570324 0.021719 -0.686642
H -2.111777 1.478676 -0.089606
H -1.106356 -1.337928 -0.100269
H 2.428615 -2.593726 -2.702514
H -2.455797 -3.059984 0.663262
H -4.181332 0.857378 -0.223907
H -4.742513 -3.936254 1.170322
H -6.434981 -0.024031 0.321000
H -6.740498 -2.417516 1.014745


