%chk=000020779.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000020779

1 1
 S  -0.5030000      -3.005200      0.4532000    
 N    2.012500       1.310200      3.7300002E-02
 N  -0.3279000       1.423400     -6.2399998E-02
 N   0.7886000     -0.6809000      0.2263000    
 N   -1.607500     -0.5974000      0.1286000    
 N   -2.671100       1.473200     -0.1532000    
 N   -3.964900      0.8530000     -0.1281000    
 N   -4.953100      0.3993000     -0.1112000    
 C    3.279300      0.6316000      0.1656000    
 C    4.357700       1.605300      0.6227000    
 C    3.661900     -3.9099999E-02  -1.148000    
 C   0.7863000      0.6643000      6.7800000E-02
 C   -1.477300      0.7304000     -2.2700001E-02
 C  -0.4332000      -1.237700      0.2472000    
 C    1.051700      -3.530300     -0.3231000    
 H    3.208500     -0.1402000      0.9431000    
 H    1.998700       2.310000     -0.1293000    
 H    5.316600       1.094100      0.7575000    
 H    4.501100       2.411200     -0.1058000    
 H    4.083900       2.068800       1.576900    
 H    2.922800     -0.7867000      -1.453000    
 H    4.628200     -0.5468000      -1.058300    
 H    3.739400      0.6947000      -1.958300    
 H   -2.564400       2.474500     -0.2673000    
 H    1.108500      -3.164400      -1.351900    
 H    1.091200      -4.622700     -0.3393000    
 H    1.910300      -3.162000      0.2448000    


%chk=000020779-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000020779

1 1
S -0.931640 -2.909572 0.213798
N 1.993866 1.280167 -0.173701
N -0.309205 1.663046 -0.162051
N 0.616761 -0.629152 -0.002455
N -1.708146 -0.307164 0.024787
N -2.775500 1.580800 -0.104049
N -3.733753 0.549891 -0.003132
N -3.109721 -0.607830 0.076310
C 3.288819 0.532951 -0.156493
C 4.252515 1.229925 0.825724
C 3.860053 0.449857 -1.590944
C 0.761081 0.755472 -0.112770
C -1.492463 1.076696 -0.090082
C -0.595497 -1.172356 0.068813
C 0.835306 -3.573787 0.226626
H 3.048664 -0.481371 0.203014
H 2.035929 2.303024 -0.263319
H 5.196537 0.661728 0.878271
H 4.502058 2.253826 0.489635
H 3.829206 1.284801 1.843363
H 3.156271 -0.050886 -2.278021
H 4.799880 -0.128655 -1.578475
H 4.089398 1.453855 -1.991686
H -3.089745 2.550379 -0.174435
H 1.341086 -3.284027 -0.703963
H 0.717837 -4.665685 0.287846
H 1.365205 -3.185333 1.106489


