%chk=000118519.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000118519

0 1
 S  -0.1074000      0.8560000      0.5405000    
 O  -0.2007000       1.180800       2.003100    
 N    1.231600     -8.0100000E-02  0.1271000    
 N   -1.339500     -0.1431000     -2.6300000E-02
 C    1.426300     -0.4010000      -1.290600    
 C    2.523400      0.2704000      0.7246000    
 C   -1.450100      -1.490100      0.5409000    
 C   -2.677500      0.4459000     -0.1344000    
 C    2.008900      0.7813000      -2.046100    
 C    3.508800     -0.8809000      0.6158000    
 C   -2.308800      -2.386200     -0.3353000    
 C   -2.615000       1.846800     -0.7192000    
 H    2.050100      -1.290500      -1.430000    
 H   0.4760000     -0.6778000      -1.762900    
 H    2.948300       1.203800      0.3395000    
 H    2.373900      0.4413000       1.799100    
 H  -0.4652000      -1.966300      0.6094000    
 H   -1.851900      -1.460200       1.561600    
 H   -3.313500     -0.1326000     -0.8114000    
 H   -3.172900      0.4904000      0.8436000    
 H    1.447500       1.706100      -1.877500    
 H    3.062200      0.9598000      -1.810700    
 H    1.965700      0.5759000      -3.122100    
 H    3.058400      -1.831400      0.9221000    
 H    3.920300     -0.9911000     -0.3918000    
 H    4.359700     -0.6969000       1.281700    
 H   -3.377400      -2.171500     -0.2380000    
 H   -2.023600      -2.317200      -1.390700    
 H   -2.174600      -3.430400     -3.0500000E-02
 H   -2.193200       2.579700     -2.3800001E-02
 H   -2.047100       1.872700      -1.655900    
 H   -3.630400       2.189500     -0.9498000    


%chk=000118519-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000118519

0 1
S -0.075508 1.104580 0.412894
O 0.152350 1.115106 2.048201
N 1.299559 -0.105280 -0.172863
N -1.445475 -0.118663 -0.093543
C 1.499578 0.023464 -1.641362
C 2.488966 -0.047683 0.710895
C -1.369654 -1.377868 0.709867
C -2.777674 0.563424 0.004533
C 2.215275 1.299563 -2.148373
C 3.175576 -1.428391 0.764318
C -1.976315 -2.554972 -0.079267
C -2.930763 1.716967 -1.001366
H 2.069259 -0.874362 -1.953522
H 0.498813 -0.066020 -2.103539
H 3.220885 0.730150 0.399960
H 2.118477 0.223664 1.719365
H -0.298355 -1.576459 0.891348
H -1.872485 -1.260655 1.694338
H -3.526763 -0.218435 -0.225098
H -2.986749 0.910470 1.042092
H 1.654267 2.209711 -1.867166
H 3.239195 1.388560 -1.743507
H 2.292209 1.274610 -3.251091
H 2.463270 -2.197348 1.110102
H 3.559625 -1.735068 -0.225988
H 4.030492 -1.397544 1.465278
H -3.047593 -2.400338 -0.303678
H -1.440094 -2.689835 -1.034441
H -1.887617 -3.486614 0.509925
H -2.245179 2.554178 -0.780131
H -2.722979 1.361901 -2.025879
H -3.962293 2.112285 -0.970302


