%chk=000049654.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049654

0 1
 Cl   5.437800     -0.5552000      6.4900003E-02
 O  -0.3595000      0.3541000     -0.2150000    
 N   -3.085800     -0.3159000      0.1038000    
 N   -4.971900      -1.336800     -0.7711000    
 N   -5.225200      0.7749000      4.8599999E-02
 C   0.9866000      0.1430000     -0.1500000    
 C    1.867600       1.218600     -0.2628000    
 C    1.482300      -1.148600      2.9200001E-02
 C   -1.032800      0.6155000       1.013800    
 C    3.244300       1.002600     -0.1968000    
 C    2.858900      -1.364700      9.4999999E-02
 C    3.739800     -0.2891000     -1.8100001E-02
 C    1.356100       2.608300     -0.4549000    
 C   0.5550000      -2.312600      0.1522000    
 C   -2.503200      0.8703000      0.7371000    
 C   -4.350100     -0.2645000     -0.1760000    
 H  -0.9232000     -0.2441000       1.685000    
 H  -0.5964000       1.493700       1.502800    
 H    3.931700       1.841200     -0.2824000    
 H    3.245900      -2.371300      0.2369000    
 H    1.039100       3.031700      0.5030000    
 H    2.127000       3.262600     -0.8770000    
 H   0.5126000       2.627600      -1.153100    
 H    1.065000      -3.255000     -7.5999998E-02
 H   0.1614000      -2.378100       1.171100    
 H  -0.2804000      -2.230800     -0.5512000    
 H   -2.594300       1.729700      6.1799999E-02
 H   -3.010400       1.096200       1.682200    
 H   -4.456800      -2.179900     -0.9999000    
 H   -5.959900      -1.317600     -0.9986000    
 H   -6.202100      0.7015000     -0.2145000    
 H   -4.932800       1.645000      0.4788000    


%chk=000049654-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000049654

0 1
Cl 5.207542 -1.281587 0.172601
O -0.410532 0.862617 -0.321550
N -3.027198 -0.252777 0.734367
N -4.390026 -2.001009 -0.037122
N -5.029386 0.186692 -0.583996
C 0.913930 0.374291 -0.161549
C 1.998162 1.288339 -0.059350
C 1.109651 -1.035377 -0.181683
C -1.094738 1.258356 0.936371
C 3.312932 0.767457 0.038910
C 2.433318 -1.530785 -0.074216
C 3.502569 -0.624745 0.036986
C 1.758608 2.786334 -0.071440
C -0.068294 -1.974900 -0.340698
C -2.603451 1.156161 0.701044
C -4.096650 -0.633557 0.073919
H -0.799336 0.576848 1.756773
H -0.807601 2.298723 1.195557
H 4.169754 1.444270 0.111700
H 2.618392 -2.609276 -0.082450
H 1.533351 3.168369 0.943556
H 2.647688 3.327674 -0.437346
H 0.898682 3.035612 -0.716748
H -0.435850 -1.959170 -1.384606
H 0.216334 -3.011782 -0.090622
H -0.924145 -1.661282 0.284638
H -2.827115 1.676989 -0.261598
H -3.103358 1.733462 1.512381
H -3.698504 -2.624577 0.375905
H -5.362263 -2.305904 -0.037884
H -5.556523 -0.178875 -1.374543
H -4.959644 1.195708 -0.488509


