%chk=000045821.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045821

0 1
 Cl  -4.713200       3.490800     -0.6129000    
 N    3.600800       1.066400      0.7244000    
 N   0.9832000      4.5800000E-02  0.1040000    
 C    3.467100     -0.2708000      0.1192000    
 C    2.688300       1.867000     -0.1116000    
 C    3.508300     -1.5300000E-02  -1.393800    
 C    2.986800       1.416800      -1.548400    
 C    2.087800     -0.8088000      0.5700000    
 C    1.255200       1.476000      0.3231000    
 C  -0.2925000     -0.3563000      0.6852000    
 C    4.972600       1.565400      0.7175000    
 C   -1.412400      0.6196000      0.3557000    
 C  -0.6659000      -1.788000      0.3304000    
 C   -1.648600       1.677600       1.209600    
 C   -2.159600      0.4168000     -0.7870000    
 C   -1.427200      -2.519000       1.219900    
 C  -0.2327000      -2.313000     -0.8702000    
 C   -2.676100       2.571500      0.9081000    
 C   -3.187100       1.310700      -1.088600    
 C   -1.769800      -3.831400      0.8947000    
 C  -0.5755000      -3.625400      -1.195300    
 C   -3.445300       2.388200     -0.2411000    
 C   -1.344100      -4.384500     -0.3128000    
 H    4.249500     -0.9655000      0.4449000    
 H    2.824100       2.946200      2.1800000E-02
 H    2.905800     -0.7322000      -1.961300    
 H    4.536100     -7.4600004E-02  -1.770600    
 H    3.764300       2.044400      -1.999400    
 H    2.106400       1.461600      -2.198100    
 H    2.011800      -1.831800      0.1908000    
 H    2.084000     -0.8774000       1.667300    
 H    1.141800       1.744600       1.381700    
 H   0.5785000       2.095900     -0.2758000    
 H  -0.1754000     -0.3408000       1.781000    
 H    5.423100       1.622000     -0.2786000    
 H    5.607100      0.9237000       1.338700    
 H    5.008600       2.566400       1.161300    
 H   -1.071800       1.824100       2.117500    
 H   -1.979000     -0.3909000      -1.485900    
 H   -1.764700      -2.096200       2.161400    
 H   0.3395000      -1.741900      -1.594800    
 H   -2.868700       3.404100       1.579800    
 H   -3.775300       1.158800      -1.990000    
 H   -2.369000      -4.422200       1.581300    
 H  -0.2504000      -4.054200      -2.138700    
 H   -1.612600      -5.405700     -0.5669000    


%chk=000045821-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000045821

0 1
Cl -4.924794 3.285485 -1.310436
N 3.817159 0.929412 0.656127
N 1.031031 0.153389 0.226135
C 3.455951 -0.346879 -0.044125
C 2.834801 1.864591 0.016716
C 3.311930 0.035383 -1.561209
C 2.893202 1.542354 -1.520033
C 2.109941 -0.827059 0.542423
C 1.444358 1.536412 0.604944
C -0.289892 -0.211315 0.817763
C 5.232759 1.331206 0.490958
C -1.407875 0.704877 0.292416
C -0.656210 -1.680284 0.545395
C -2.504172 1.029492 1.126601
C -1.401207 1.187347 -1.040029
C -0.913989 -2.557537 1.625499
C -0.770480 -2.174866 -0.779078
C -3.581107 1.810733 0.649990
C -2.463802 1.972921 -1.535826
C -1.281944 -3.903447 1.393841
C -1.129849 -3.518686 -1.014580
C -3.542583 2.268992 -0.680167
C -1.390468 -4.388830 0.071524
H 4.225912 -1.116186 0.140848
H 3.091388 2.911949 0.253569
H 2.547508 -0.586742 -2.056423
H 4.270032 -0.105668 -2.093455
H 3.635663 2.185284 -2.026453
H 1.913873 1.708121 -2.000377
H 1.838966 -1.805810 0.111390
H 2.242198 -0.955616 1.643839
H 1.502962 1.654215 1.714380
H 0.694249 2.251359 0.223958
H -0.256619 -0.089505 1.932987
H 5.567319 1.451988 -0.567400
H 5.879772 0.573199 0.967860
H 5.398279 2.291306 1.011938
H -2.526914 0.665890 2.161109
H -0.541030 0.956012 -1.677879
H -0.822259 -2.187484 2.654405
H -0.572474 -1.504224 -1.622175
H -4.426613 2.058243 1.298371
H -2.453652 2.347238 -2.563844
H -1.479397 -4.569444 2.241443
H -1.213058 -3.888387 -2.043032
H -1.675066 -5.430928 -0.112405


