%chk=000226980.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000226980

0 1
 S   -1.536800       1.769000     -0.2708000    
 O   -1.949700       2.913300      0.5187000    
 O   -1.196500       1.928000      -1.671400    
 O    5.231000     -0.6716000     -0.4007000    
 O    4.047500      0.5414000       1.165100    
 N  -0.2914000      0.9456000      0.5446000    
 N   0.9184000      0.6952000     -0.2099000    
 N   -5.878100      -2.275800      0.1126000    
 C   -2.827300      0.5664000     -0.1563000    
 C   -3.682300      0.5938000      0.9318000    
 C   -2.958900     -0.3803000      -1.157300    
 C    1.572200     -0.3765000      0.1199000    
 C    2.894100     -0.8108000     -0.4841000    
 C   -4.848200      -1.316600      2.2000000E-02
 C   -4.700800     -0.3552000       1.021700    
 C   -3.977400      -1.329200      -1.067500    
 C    1.012100      -1.228500       1.231700    
 C    4.096000     -0.2164000      0.2058000    
 C    6.460000     -0.2006000      0.1611000    
 C    7.616300     -0.7912000     -0.6172000    
 H   -3.579500       1.328700       1.724000    
 H   -2.285900     -0.4103000      -2.008700    
 H    2.963500      -1.902500     -0.4556000    
 H    2.903900     -0.4810000      -1.529000    
 H  -0.1154000       1.230000       1.517400    
 H   -5.372100     -0.3361000       1.876500    
 H   -4.081100      -2.074400      -1.852100    
 H  -8.9999996E-03  -1.545400       1.000300    
 H    1.616700      -2.131200       1.359500    
 H    1.033700     -0.6782000       2.176800    
 H    6.493700      0.8930000      0.1011000    
 H    6.523900     -0.5095000       1.210500    
 H   -6.509400      -2.267600      0.9026000    
 H   -5.985100      -2.973500     -0.6116000    
 H    8.574000     -0.4510000     -0.2133000    
 H    7.586000      -1.885200     -0.5815000    
 H    7.556100     -0.5059000      -1.672700    


%chk=000226980-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000226980

0 1
S -1.690202 1.801087 0.753858
O -2.408308 2.600108 1.979433
O -0.976554 2.575573 -0.485606
O 4.737769 -0.986172 -0.603434
O 4.344177 0.606031 1.052291
N -0.417184 0.708996 1.738884
N 0.516771 0.142630 0.896172
N -5.498239 -2.298425 -1.528650
C -2.842373 0.524911 0.062024
C -3.891618 0.056218 0.873916
C -2.645403 0.087180 -1.260277
C 1.630854 -0.355946 1.392104
C 2.564827 -1.007814 0.396348
C -4.616407 -1.363420 -1.000802
C -4.781752 -0.888527 0.337635
C -3.537735 -0.859307 -1.791042
C 1.986138 -0.321801 2.864058
C 3.944613 -0.352652 0.353556
C 6.120872 -0.437572 -0.780287
C 6.774324 -1.245815 -1.895928
H -4.014586 0.440530 1.891505
H -1.822890 0.494737 -1.856058
H 2.712781 -2.082019 0.628121
H 2.117746 -0.958108 -0.611607
H -0.085258 1.335101 2.506005
H -5.611123 -1.262628 0.948813
H -3.405917 -1.213390 -2.819876
H 1.113313 -0.603479 3.484471
H 2.820965 -1.003173 3.091192
H 2.313386 0.692999 3.166222
H 6.037313 0.636554 -1.024858
H 6.655081 -0.530766 0.182642
H -6.273434 -2.655415 -0.977309
H -5.394572 -2.633913 -2.482084
H 7.802924 -0.880046 -2.068658
H 6.826021 -2.315775 -1.631312
H 6.207878 -1.146591 -2.837462


