%chk=000115224.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000115224

0 1
 Cl   4.858700       1.196700      -1.122600    
 S   -3.255300     -0.5791000     -0.9302000    
 N   -1.114900      -1.057700      0.4551000    
 N   -1.952700       1.210100      0.5241000    
 N    2.593600       1.398800      0.1215000    
 N   -3.786900       2.661200     -0.3615000    
 C   -1.537000      -2.379600      7.4000000E-03
 C  -4.3699998E-02 -0.9571000       1.423200    
 C   -2.410900      -2.165900      -1.224300    
 C   -1.970700     -2.2800000E-02  0.1474000    
 C    1.215100     -0.4615000      0.7672000    
 C    2.120500      -1.354200      0.2253000    
 C    1.482100      0.8878000      0.6972000    
 C    3.275800     -0.8667000     -0.3756000    
 C    3.463800      0.5058000     -0.4012000    
 C   -2.937400       1.984200      4.6999998E-02
 H   -2.110300      -2.869500      0.8039000    
 H  -0.6824000      -3.019800     -0.2365000    
 H   0.1460000      -1.929400       1.897000    
 H  -0.3283000     -0.2896000       2.246900    
 H   -1.792800      -2.063700      -2.122100    
 H   -3.123100      -2.981600      -1.373200    
 H    1.944700      -2.425300      0.2600000    
 H   0.8086000       1.629400       1.113300    
 H    3.998500      -1.551000     -0.8072000    


%chk=000115224-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000115224

0 1
Cl 5.230538 0.208059 -1.524440
S -3.640965 -0.693179 -0.837776
N -1.233064 -0.864464 0.322543
N -2.496758 0.915355 1.207799
N 2.564649 0.558265 -1.158180
N -4.380709 2.577157 1.539424
C -1.312010 -2.096348 -0.490761
C -0.127019 -0.667691 1.279016
C -2.327282 -1.825878 -1.616634
C -2.377750 -0.094180 0.379617
C 1.221821 -0.496633 0.594622
C 2.383880 -1.150570 1.077080
C 1.370314 0.352954 -0.529357
C 3.626612 -0.943522 0.442099
C 3.640200 -0.076780 -0.672806
C -3.524757 1.756366 1.325968
H -1.638910 -2.948729 0.140961
H -0.316962 -2.329019 -0.908316
H -0.086572 -1.523898 1.983500
H -0.390162 0.231745 1.865909
H -1.877289 -1.288168 -2.464461
H -2.823282 -2.744191 -1.960545
H 2.323556 -1.817571 1.944928
H 0.511994 0.890556 -0.946772
H 4.540925 -1.430138 0.788683


