%chk=000081062.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000081062

0 1
 S   -2.129700       2.006700      9.9999997E-05
 O    3.224400     -0.2271000      3.9999999E-04
 O    2.138000       1.680500     -3.9999999E-04
 N  -0.4908000       1.738900       0.000000    
 N    2.148200      0.4231000      9.9999997E-05
 N   -2.700200      0.4470000      9.9999997E-05
 C  -0.3204000      0.4071000       0.000000    
 C   0.9189000     -0.2769000     -9.9999997E-05
 C   -1.623000     -0.3546000       0.000000    
 C   0.8454000      -1.680200     -9.9999997E-05
 C   -1.634900      -1.770200       0.000000    
 C  -0.3760000      -2.394400     -9.9999997E-05
 H    1.759200      -2.274300     -9.9999997E-05
 H   -2.553600      -2.345100       0.000000    
 H  -0.3377000      -3.483000     -9.9999997E-05


%chk=000081062-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000081062

0 1
S -2.281867 2.090562 0.000115
O 3.255616 -0.363807 0.000253
O 2.229589 1.673690 -0.000367
N -0.518377 1.807688 0.000082
N 2.200809 0.388722 -0.000009
N -2.773700 0.388162 0.000043
C -0.361084 0.451418 0.000017
C 0.880148 -0.288891 -0.000002
C -1.617532 -0.337734 -0.000002
C 0.863574 -1.682619 -0.000028
C -1.597772 -1.772813 -0.000050
C -0.367223 -2.421517 -0.000058
H 1.825713 -2.203197 -0.000028
H -2.545205 -2.317509 -0.000075
H -0.324890 -3.514655 -0.000091


