%chk=000226458.chk
%nprocshared=4
%mem=3800MB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000226458

0 1
 S   -1.246400       2.734600       1.661800    
 S   0.6677000      -2.915400       1.318400    
 O   -3.710600      0.8353000      7.8599997E-02
 N   0.3452000     -0.3171000      0.5935000    
 N  -0.8919000      0.2505000      0.6074000    
 N   0.7716000       1.843100     -6.6799998E-02
 N   -1.285200      -1.794900     -0.3490000    
 C  -0.6845000       1.664300      0.2870000    
 C   0.1531000      -1.671300      7.9000004E-02
 C    1.252700      0.6300000      0.1459000    
 C   -1.791400     -0.6202000      7.9999998E-04
 C    2.677300      0.3434000     -0.1038000    
 C   -3.199700     -0.3686000     -0.2818000    
 C    3.367400       1.048400      -1.089400    
 C    3.333200     -0.6324000      0.6457000    
 C   -4.160900      -1.150800     -0.8720000    
 C    4.715100      0.7770000      -1.325800    
 C    4.680800     -0.9038000      0.4094000    
 C   -5.345600     -0.3763000     -0.8757000    
 C   -5.019400      0.8232000     -0.2868000    
 C    5.371700     -0.1990000     -0.5764000    
 H   -1.263500       1.939600     -0.6018000    
 H   0.7630000      -1.828500     -0.8182000    
 H   -2.524400       2.328300       1.653200    
 H    1.919400      -3.082500      0.8689000    
 H    2.874100       1.808200      -1.689800    
 H    2.845800      -1.141400       1.467200    
 H   -4.035000      -2.153600      -1.254800    
 H    5.253000       1.325100      -2.093700    
 H    5.197000      -1.651500       1.004500    
 H   -6.315600     -0.6571000      -1.259600    
 H   -5.574600       1.722900     -6.5200001E-02
 H    6.422000     -0.4077000     -0.7578000    


%chk=000226458-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000226458

0 1
S -0.818600 2.694626 2.012254
S 0.533905 -3.051633 1.640707
O -3.615785 0.786483 -0.008098
N 0.452351 -0.383472 0.649268
N -0.897771 0.190318 0.667079
N 0.661669 1.786550 -0.125815
N -1.073644 -1.879397 -0.369137
C -0.703605 1.651266 0.393442
C 0.281255 -1.796288 0.195685
C 1.275576 0.622829 0.059180
C -1.687367 -0.734709 -0.074083
C 2.691526 0.359552 -0.244068
C -3.074901 -0.466942 -0.389511
C 3.375997 1.229120 -1.135489
C 3.382907 -0.732009 0.349023
C -4.051044 -1.217640 -1.033725
C 4.731684 0.999971 -1.440248
C 4.742659 -0.951779 0.041233
C -5.250373 -0.416896 -1.062070
C -4.954262 0.783956 -0.434796
C 5.418452 -0.092549 -0.855613
H -1.476789 2.029875 -0.287802
H 1.059491 -2.094470 -0.523153
H -2.106375 2.266223 2.302128
H -0.405779 -2.458783 2.466342
H 2.829711 2.073305 -1.567675
H 2.873605 -1.378990 1.073527
H -3.907807 -2.220615 -1.428666
H 5.255541 1.670809 -2.129573
H 5.275109 -1.787556 0.507493
H -6.210634 -0.696744 -1.489771
H -5.518943 1.684885 -0.212157
H 6.473642 -0.267498 -1.093010


