%chk=000047902.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047902

0 1
 Cl  -5.291900       2.633300     -0.3958000    
 S   0.4086000      0.9677000      -1.235000    
 N   -1.672300      -1.861100      0.5164000    
 N    2.698600       3.599100      0.8438000    
 N    3.284700       2.184500     -0.8609000    
 N    3.917300       3.324000      0.8977000    
 N    4.277500       2.454200     -0.1502000    
 C   -2.114500      0.1948000     -0.2285000    
 C  -0.5032000      -1.374500     -4.0000002E-03
 C  -0.7448000     -0.1038000     -0.4729000    
 C   -2.673300     -0.9240000      0.3930000    
 C   0.7046000      -2.169100      4.6000001E-03
 C   -2.934900       1.313000     -0.4770000    
 C   -4.017000     -0.9807000      0.7799000    
 C    1.103400       1.882300      0.1795000    
 C   -4.280900       1.270600     -9.5500000E-02
 C   -4.811500      0.1403000      0.5231000    
 C    2.144100       2.880500     -0.2908000    
 C    1.575600      -2.095900       1.089700    
 C   0.9944000      -3.004300      -1.072500    
 C    2.741500      -2.861900       1.098000    
 C    2.160400      -3.769900      -1.064100    
 C    3.033900      -3.699100      2.1299999E-02
 H   -1.789800      -2.775100      0.9325000    
 H   -2.526400       2.197600     -0.9587000    
 H   -4.430800      -1.860300       1.261500    
 H   0.2909000       2.402000      0.6995000    
 H    1.539700       1.164700      0.8837000    
 H   -5.858700      0.1139000      0.8170000    
 H    1.728200       3.593400      -1.011700    
 H    1.362200      -1.447800       1.936400    
 H   0.3239000      -3.070600      -1.925900    
 H    3.421800      -2.806100       1.942800    
 H    2.388300      -4.421500      -1.902600    
 H    3.941700      -4.295300      2.7700000E-02


%chk=000047902-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000047902

0 1
Cl -4.636262 3.205337 -0.874113
S 0.678179 0.436866 -1.975542
N -1.452672 -1.550999 0.838054
N 2.184641 2.918502 1.129325
N 1.062349 3.688804 -0.855469
N 2.556012 4.092354 1.135311
N 1.612161 4.740632 -0.529757
C -1.755898 0.326629 -0.421965
C -0.311111 -1.424501 0.026211
C -0.476420 -0.263505 -0.760641
C -2.353726 -0.512162 0.581858
C 0.782999 -2.406939 0.133538
C -2.445472 1.481441 -0.878030
C -3.624801 -0.238817 1.130330
C 1.899893 1.296281 -0.799171
C -3.704164 1.736051 -0.317648
C -4.304737 0.905717 0.668283
C 1.266325 2.454951 -0.015903
C 1.060542 -3.034371 1.382781
C 1.565253 -2.769099 -0.998533
C 2.083145 -3.999348 1.494515
C 2.591349 -3.729517 -0.880744
C 2.854104 -4.351704 0.362514
H -1.631924 -2.351497 1.442186
H -2.011275 2.132226 -1.642458
H -4.080125 -0.881194 1.891126
H 2.265393 0.540608 -0.087428
H 2.731926 1.644072 -1.433144
H -5.291935 1.161330 1.062820
H 0.298854 2.153368 0.428747
H 0.504474 -2.738177 2.280938
H 1.356234 -2.303847 -1.965807
H 2.286895 -4.465444 2.464647
H 3.180732 -4.000286 -1.763485
H 3.650364 -5.098864 0.448654


