%chk=000051707.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051707

0 1
 Cl   6.000500       2.209700     -0.1604000    
 N   -3.126000     -0.5706000     -9.4999999E-02
 N    1.143000      -1.041700      0.1355000    
 C   -5.164500      0.6151000      0.6029000    
 C   -6.580100       1.008900      0.4000000    
 C   -5.482200       2.021000      0.2519000    
 C   -4.506300     -0.2539000     -0.4553000    
 C   -2.522800      -1.482900      -1.065400    
 C   -2.321700      0.6524000      9.8999999E-03
 C   -1.133500      -1.920600     -0.5778000    
 C  -0.2503000     -0.7892000     -6.1600000E-02
 C  -0.8461000      0.4002000      0.1745000    
 C    2.168400     -0.1175000      1.6500000E-02
 C    1.674800      -2.265400      0.4785000    
 C    3.367300     -0.7788000      0.2915000    
 C    3.040500      -2.133000      0.5814000    
 C    2.113700       1.241600     -0.3121000    
 C    4.571900     -4.9800001E-02  0.2364000    
 C    3.321000       1.944200     -0.3606000    
 C    4.532400       1.310400     -9.0899996E-02
 H   -4.878900      0.3656000       1.617500    
 H   -7.217500       1.083000       1.272700    
 H   -7.090400      0.6850000     -0.4988000    
 H   -5.262800       2.382500     -0.7451000    
 H   -5.378700       2.770200       1.027400    
 H   -4.566200      0.2133000      -1.447300    
 H   -5.082500      -1.186600     -0.5055000    
 H   -2.441900      -1.011300      -2.054200    
 H   -3.139800      -2.381900      -1.186200    
 H   -2.640700       1.223300      0.8899000    
 H   -2.455000       1.297700     -0.8684000    
 H  -0.6281000      -2.432300      -1.406400    
 H   -1.261200      -2.653700      0.2296000    
 H  -0.3091000       1.233800      0.6103000    
 H    1.047900      -3.133800      0.6307000    
 H    3.729200      -2.925800      0.8395000    
 H    1.210600       1.762700     -0.5987000    
 H    5.516000     -0.5454000      0.4470000    
 H    3.299900       2.998300     -0.6295000    


%chk=000051707-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000051707

0 1
Cl 6.205934 2.135640 -0.411431
N -3.135590 -0.531350 -0.173046
N 1.104319 -0.977230 0.189021
C -5.335274 0.414411 0.561595
C -6.690266 1.053775 0.226431
C -5.494980 1.944435 0.597278
C -4.545361 -0.270060 -0.547039
C -2.441321 -1.437391 -1.114926
C -2.362885 0.707018 0.066515
C -1.113969 -1.926090 -0.501265
C -0.300401 -0.746948 0.008708
C -0.885723 0.454543 0.263689
C 2.171345 -0.068538 -0.002051
C 1.650656 -2.200872 0.632677
C 3.391276 -0.755714 0.345279
C 3.031385 -2.098243 0.745933
C 2.186009 1.254507 -0.500424
C 4.638044 -0.086070 0.225517
C 3.429508 1.906704 -0.622200
C 4.620754 1.231610 -0.248487
H -5.254733 -0.092763 1.530088
H -7.506458 0.951061 0.946878
H -7.012054 1.044314 -0.820519
H -5.025275 2.523827 -0.204873
H -5.504933 2.445798 1.569655
H -4.622361 0.348973 -1.481970
H -5.012787 -1.249576 -0.769689
H -2.231023 -0.941375 -2.097714
H -3.098632 -2.303054 -1.316668
H -2.770400 1.207596 0.964412
H -2.496446 1.439406 -0.778680
H -0.532750 -2.484492 -1.260597
H -1.341056 -2.625070 0.327556
H -0.301221 1.287686 0.667927
H 1.000007 -3.042769 0.858811
H 3.706024 -2.885816 1.075847
H 1.272212 1.768726 -0.807619
H 5.577681 -0.581334 0.485436
H 3.481544 2.929428 -1.005654


