%chk=000227297.chk
%nprocshared=4
%mem=3800MB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227297

0 1
 S   -1.054600      -2.068700     -4.1000000E-03
 S    2.687600     -0.4707000      -1.457000    
 O  -0.6654000      -2.350100       1.364300    
 O   -1.802300      -3.046500     -0.7710000    
 O    3.067000      0.5296000       2.230800    
 N   0.3234000      -1.579700     -0.8947000    
 N    1.553900     -0.5705000      0.8850000    
 N   -4.237900       2.953800     -1.2300000E-02
 C    3.636600      0.2617000     -9.2399999E-02
 C    3.943100       1.722400     -0.3671000    
 C    1.424600     -0.8968000     -0.3550000    
 C    2.739200      9.7999997E-02   1.128900    
 C   -2.000800     -0.5754000     -6.6000000E-03
 C    4.810800       1.892500      -1.603300    
 C   -2.902300     -0.3486000      -1.032000    
 C   -1.822500      0.3393000       1.017000    
 C   -3.648900      0.8297000      -1.034300    
 C   -2.569200       1.517500       1.014700    
 C   -3.482300       1.762600     -1.0900000E-02
 H    4.546200     -0.3268000      6.6600002E-02
 H    4.476100       2.145500      0.4938000    
 H    3.023900       2.313100     -0.4710000    
 H   0.3483000      -1.828800      -1.891400    
 H    5.705600       1.263700      -1.551100    
 H    4.273500       1.660500      -2.527300    
 H    5.141700       2.933900      -1.680200    
 H   -3.040800      -1.058500      -1.841700    
 H   -1.116900      0.1684000       1.823700    
 H   -4.356200       1.010100      -1.839800    
 H   -2.430200       2.237000       1.817600    
 H   -4.116100       3.631300      0.7287000    
 H   -4.898900       3.132900     -0.7564000    


%chk=000227297-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000227297

0 1
S -1.185752 -2.164257 -0.166129
S 3.075566 -0.815758 -1.395578
O -0.828605 -2.773041 1.283594
O -1.844243 -3.080205 -1.335720
O 2.429351 1.379322 1.883058
N 0.471781 -1.723925 -1.053208
N 1.247454 -0.187927 0.566365
N -4.334492 2.952387 0.320564
C 3.593613 0.438504 -0.060656
C 4.027539 1.794867 -0.651548
C 1.421808 -0.922445 -0.522077
C 2.369243 0.592079 0.906528
C -2.109328 -0.568670 -0.021512
C 5.318150 1.715887 -1.490563
C -3.069107 -0.286202 -1.013806
C -1.856162 0.276742 1.077049
C -3.815486 0.895805 -0.894869
C -2.608981 1.454530 1.186004
C -3.596777 1.784970 0.204792
H 4.425819 -0.022781 0.500857
H 4.173415 2.475211 0.210249
H 3.200048 2.211380 -1.256367
H 0.636738 -2.339211 -1.857563
H 6.160188 1.320585 -0.891919
H 5.186730 1.058848 -2.370406
H 5.605531 2.717361 -1.857904
H -3.235573 -0.985295 -1.839433
H -1.077315 0.028822 1.802897
H -4.574726 1.135726 -1.647616
H -2.426865 2.131612 2.027622
H -4.184370 3.589304 1.098403
H -5.038994 3.198173 -0.369607


