%chk=000100469.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100469

0 1
 S    1.460500      -2.421500      0.1838000    
 O    3.693000     -0.3579000      1.6100001E-02
 O    6.731400       1.361300     -0.1444000    
 O    6.269300     -0.7837000      7.7999998E-03
 N   -4.050100      0.1635000      8.2800001E-02
 N   -2.700400      0.1213000      7.2499998E-02
 N   5.8499999E-02 -0.2532000      5.9000000E-02
 N    5.887600      0.4208000     -6.8200000E-02
 C   -6.848700      0.9701000     -0.2222000    
 C   -6.216500     -9.7800002E-02  -1.105600    
 C   -6.133000       1.032200       1.121200    
 C   -4.706200      0.1012000      -1.228300    
 C   -4.625400       1.203800      0.9412000    
 C   -2.237600      -1.083600      0.1435000    
 C  -0.8022000      -1.318400      0.1407000    
 C    1.288200     -0.7177000      7.3399998E-02
 C    2.423000      0.1286000      1.7000000E-03
 C  -0.2480000      -2.567700      0.2161000    
 C    2.435600       1.502100     -8.9800000E-02
 C    4.522800      0.7148000     -6.6900000E-02
 C    3.798200       1.882100     -0.1343000    
 H   -6.783800       1.945500     -0.7196000    
 H   -7.912100      0.7535000     -7.2400004E-02
 H   -6.422000      -1.089800     -0.6834000    
 H   -6.674800     -7.3200002E-02  -2.100700    
 H   -6.531800       1.862600       1.714700    
 H   -6.332600      0.1116000       1.684400    
 H   -4.299000     -0.7336000      -1.811800    
 H   -4.495500       1.017200      -1.795200    
 H   -4.409200       2.196300      0.5250000    
 H   -4.155500       1.164000       1.931700    
 H   -2.893300      -1.972600      0.2101000    
 H  -0.7322000      -3.531500      0.2860000    
 H    1.576900       2.158500     -0.1215000    
 H    4.195700       2.884600     -0.2070000    


%chk=000100469-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100469

0 1
S 1.615612 -2.301489 -0.999695
O 3.764526 -0.305562 -0.081677
O 6.810028 1.393515 0.753313
O 6.453745 -0.692145 -0.158719
N -4.135090 0.230743 -0.083501
N -2.783839 0.054843 -0.175745
N 0.083916 -0.247852 -0.184078
N 6.041407 0.438577 0.315440
C -6.962724 0.932889 0.068773
C -6.507940 -0.542762 0.046401
C -5.886872 1.799114 0.761841
C -5.133058 -0.715125 -0.638715
C -4.531925 1.652446 0.045416
C -2.247916 -1.073282 -0.622273
C -0.798135 -1.240796 -0.636021
C 1.354733 -0.611628 -0.291293
C 2.466481 0.212814 0.099146
C -0.160320 -2.403213 -1.102701
C 2.540171 1.498276 0.656114
C 4.634073 0.691712 0.377731
C 3.925510 1.802163 0.833476
H -7.118897 1.293511 -0.968929
H -7.932723 1.024141 0.591297
H -6.437026 -0.916523 1.086118
H -7.245821 -1.175761 -0.481789
H -6.178535 2.865959 0.760240
H -5.781203 1.484019 1.818059
H -4.776761 -1.747495 -0.470879
H -5.224926 -0.566915 -1.739852
H -4.597629 2.114103 -0.966517
H -3.717705 2.156524 0.589896
H -2.822372 -1.935690 -0.997727
H -0.627496 -3.303060 -1.498416
H 1.681283 2.119624 0.896300
H 4.368229 2.707724 1.239363


