%chk=000090983.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000090983

0 1
 S    4.194100     -0.5081000      5.4900002E-02
 N   0.1463000     -0.2264000     -0.3619000    
 N   -4.130200     -0.7193000      0.3891000    
 C    1.517100      0.2480000     -0.2345000    
 C  -0.7731000      0.8869000     -0.5635000    
 C   -2.224500      0.4151000     -0.6895000    
 C    2.440100     -0.9690000     -9.4700001E-02
 C    1.586600       1.196400      0.9629000    
 C   -2.756500     -0.3236000      0.5371000    
 H    1.804600      0.7957000      -1.142000    
 H  -0.7677000       1.589500      0.2747000    
 H  -0.5066000       1.441800      -1.471200    
 H   7.2600000E-02 -0.8760000      -1.144300    
 H   -2.853600       1.293800     -0.8840000    
 H   -2.316800     -0.2313000      -1.572600    
 H    2.344800      -1.625200     -0.9671000    
 H    2.174800      -1.556800      0.7914000    
 H    2.617900       1.436200       1.238400    
 H    1.113200      0.7643000       1.852700    
 H    1.124300       2.166900      0.7553000    
 H   -2.155200      -1.219600      0.7242000    
 H   -2.658200      0.3183000       1.420100    
 H   -4.717500      0.1000000      0.2404000    
 H   -4.460200      -1.155400       1.248900    
 H    4.293400      0.1075000      -1.132500    


%chk=000090983-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000090983

0 1
S 4.252512 -0.712345 -0.141439
N 0.129145 -0.069696 -0.265904
N -4.143138 -0.873829 0.265316
C 1.556995 0.336895 -0.182278
C -0.854892 1.016567 -0.494538
C -2.268912 0.436776 -0.700164
C 2.378748 -0.962971 -0.023679
C 1.789927 1.298842 0.999103
C -2.815709 -0.289949 0.546521
H 1.893806 0.851540 -1.121396
H -0.858402 1.684023 0.388100
H -0.585006 1.650073 -1.377534
H 0.003357 -0.809415 -0.974477
H -2.953151 1.265281 -0.977398
H -2.276309 -0.275071 -1.550233
H 2.090745 -1.709976 -0.785094
H 2.213440 -1.401427 0.974323
H 2.872620 1.460722 1.143186
H 1.363740 0.864038 1.921866
H 1.318404 2.281988 0.825859
H -2.121072 -1.106286 0.812337
H -2.804878 0.427947 1.404637
H -4.864213 -0.180191 0.040276
H -4.468771 -1.545602 0.966659
H 4.260714 -0.288234 -1.461748


