%chk=000005138.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005138

0 1
 S    1.667000       0.000000      0.8068000    
 N    4.295200     -2.3000001E-03  0.9843000    
 N    3.413100      1.5000000E-03  -1.206600    
 C  -0.8505000      1.9999999E-04 -0.3218000    
 C   0.6006000      6.9999998E-04 -0.6666000    
 C   -1.529200       1.208000     -0.1598000    
 C   -1.529100      -1.208100     -0.1617000    
 C   -2.886400       1.207800      0.1624000    
 C   -2.886300      -1.208200      0.1604000    
 C   -3.564800     -3.0000001E-04  0.3225000    
 C    3.270500      6.9999998E-04  8.0100000E-02
 H   0.8335000     -0.8777000      -1.280200    
 H   0.8332000      0.8800000      -1.279100    
 H   -1.012500       2.156500     -0.2807000    
 H   -1.012300      -2.156300     -0.2841000    
 H   -3.414800       2.148300      0.2890000    
 H   -3.414800      -2.148800      0.2854000    
 H   -4.621500     -5.0000002E-04  0.5735000    
 H    5.264300     -3.7000000E-03  0.6856000    
 H    4.115900     -4.4000000E-03   1.982600    
 H    4.414800      6.9999998E-04  -1.428400    


%chk=000005138-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000005138

0 1
S 1.666039 -0.000807 0.859547
N 4.349840 -0.002361 1.044593
N 3.450808 0.000302 -1.223722
C -0.860385 0.000498 -0.351258
C 0.600614 0.000972 -0.730422
C -1.561097 1.221582 -0.170703
C -1.560846 -1.221056 -0.172937
C -2.930881 1.222763 0.174089
C -2.930625 -1.223162 0.171863
C -3.620214 -0.000429 0.346491
C 3.345135 -0.000893 0.077502
H 0.906182 -0.890917 -1.296969
H 0.906136 0.894136 -1.294979
H -1.027534 2.170667 -0.301859
H -1.027084 -2.169788 -0.305832
H -3.459576 2.173516 0.306313
H -3.459114 -2.174267 0.302362
H -4.683336 -0.000778 0.612384
H 5.328325 -0.002567 0.763447
H 4.129431 -0.003395 2.038936
H 4.424081 0.000086 -1.585245


