%chk=000108189.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000108189

0 1
 S   -1.296400     -0.4924000      -1.728000    
 O   0.5499000       1.605100      -1.641300    
 N    3.287000      7.9999998E-04  0.7994000    
 N    2.510800       1.802200     -0.5507000    
 N    4.538400       1.914700      0.6194000    
 N   -4.064500       1.492700       1.328700    
 C    1.182200     -0.2746000     -0.3380000    
 C    2.171400     -0.7870000      0.5109000    
 C   4.9800001E-02  -1.030900     -0.6520000    
 C  -9.3000002E-02  -2.309400     -0.1128000    
 C    2.017700      -2.069100       1.044900    
 C   0.8879000      -2.827400      0.7333000    
 C    1.372300       1.094200     -0.8929000    
 C   -1.271100      -3.192400     -0.3913000    
 C    3.391900       1.258000      0.2481000    
 C   -2.374800      0.2812000     -0.5381000    
 C   -1.923100       1.358900      0.2146000    
 C   -3.669400     -0.1922000     -0.3594000    
 C   -2.799400       1.924500       1.126700    
 C   -4.467500      0.4429000      0.5784000    
 H    2.773600      -2.485600       1.705900    
 H   0.7926000      -3.821100       1.163700    
 H    4.001200     -0.3709000       1.413700    
 H   -1.408400      -3.348000      -1.466400    
 H   -1.139000      -4.190700      4.2500000E-02
 H   -2.182800      -2.780100      5.0700001E-02
 H  -0.9362000       1.785700      0.1410000    
 H   -4.059700      -1.030400     -0.9273000    
 H    5.217000       1.485900       1.239200    
 H    4.739300       2.850200      0.2831000    
 H   -2.496400       2.767000       1.739900    
 H   -5.485600      0.1124000      0.7562000    


%chk=000108189-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000108189

0 1
S -1.216732 -0.530968 -1.573469
O 0.330114 1.951416 -0.907562
N 3.528657 0.044656 0.665933
N 2.644682 1.819625 -0.678117
N 4.900812 1.831293 -0.064989
N -4.620104 1.375843 1.017308
C 1.249848 -0.185291 -0.178843
C 2.348901 -0.721276 0.561679
C 0.104387 -1.013760 -0.366318
C 0.004030 -2.297427 0.236720
C 2.267290 -1.993333 1.173939
C 1.097355 -2.752928 1.024794
C 1.347633 1.260367 -0.623444
C -1.217359 -3.180433 0.068335
C 3.654839 1.235450 -0.049196
C -2.508117 0.211328 -0.511519
C -2.298077 0.595502 0.832207
C -3.785889 0.424803 -1.085698
C -3.377629 1.162413 1.545947
C -4.794588 1.007887 -0.288243
H 3.113152 -2.384995 1.751610
H 1.028690 -3.735388 1.504623
H 4.284573 -0.297625 1.260925
H -1.378807 -3.448916 -0.990720
H -1.111635 -4.110069 0.653071
H -2.135410 -2.663905 0.402444
H -1.323006 0.474484 1.311606
H -3.997876 0.148279 -2.123626
H 5.751358 1.360282 0.231822
H 4.960765 2.728399 -0.542002
H -3.244510 1.470846 2.589467
H -5.791650 1.187639 -0.706585


