%chk=000029379.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000029379

0 1
 Cl   1.748700      -3.763800       1.279400    
 N  -0.2405000       2.016100      0.3876000    
 N    2.627600       1.627200      -1.011100    
 C  -0.1900000      0.8068000     -0.4619000    
 C  -0.7661000       1.728700       1.724800    
 C   -1.537800      8.3400004E-02 -0.4895000    
 C    1.001900       2.794800      0.4532000    
 C   -2.224700       1.276800       1.634900    
 C    1.029400     -8.7800004E-02 -0.1976000    
 C   -2.479000      0.2785000      0.5370000    
 C    1.792600       2.806400     -0.8573000    
 C    2.325900      0.3458000     -0.5690000    
 C   -1.841200     -0.7997000      -1.540700    
 C   -3.700100     -0.4094000      0.4978000    
 C   0.8825000      -1.359700      0.3959000    
 C    3.406200     -0.5453000     -0.3972000    
 C   -3.056000      -1.483600      -1.565000    
 C   -3.983700      -1.290100     -0.5453000    
 C    1.971300      -2.213300      0.5669000    
 C    3.232800      -1.811800      0.1569000    
 H  -9.2600003E-02   1.155200      -1.500100    
 H  -0.7304000       2.625100       2.356800    
 H  -0.1610000      0.9632000       2.227400    
 H    1.648200       2.444800       1.269800    
 H   0.7256000       3.829000      0.6934000    
 H   -2.860600       2.151400       1.446000    
 H   -2.522800      0.8510000       2.600400    
 H    1.143600       2.939300      -1.730300    
 H    2.458200       3.678100     -0.8486000    
 H    3.551600       1.772900      -1.404600    
 H   -1.126300     -0.9625000      -2.343700    
 H   -4.440700     -0.2551000       1.278600    
 H  -9.4800003E-02  -1.701000      0.7291000    
 H    4.413000     -0.2382000     -0.6767000    
 H   -3.278300      -2.166300      -2.379800    
 H   -4.931900      -1.819400     -0.5659000    
 H    4.095300      -2.461600      0.2785000    


%chk=000029379-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000029379

0 1
Cl 1.827889 -3.798262 1.429441
N -0.233786 2.021147 0.428025
N 2.479641 1.602078 -1.248864
C -0.197192 0.824663 -0.473799
C -0.816995 1.718896 1.756908
C -1.538076 0.091474 -0.472881
C 1.076064 2.710861 0.540336
C -2.307369 1.379003 1.595093
C 1.011725 -0.095121 -0.196405
C -2.532062 0.336469 0.510257
C 1.794469 2.849709 -0.815703
C 2.304250 0.343871 -0.635243
C -1.790103 -0.860215 -1.493849
C -3.754614 -0.381674 0.450542
C 0.888748 -1.348264 0.444615
C 3.420592 -0.526577 -0.481939
C -3.008809 -1.565592 -1.549339
C -3.999665 -1.325933 -0.567134
C 2.016297 -2.174412 0.603971
C 3.282754 -1.791182 0.125832
H -0.044995 1.216643 -1.499105
H -0.702530 2.617046 2.392135
H -0.279745 0.882322 2.268373
H 1.768962 2.196710 1.251476
H 0.886085 3.723695 0.945704
H -2.849722 2.305720 1.322150
H -2.725662 1.027943 2.558269
H 1.070032 3.200592 -1.577191
H 2.563292 3.640855 -0.712508
H 3.395130 1.744269 -1.678123
H -1.015105 -1.051795 -2.246101
H -4.519463 -0.192211 1.214417
H -0.096244 -1.693014 0.773240
H 4.410391 -0.204303 -0.829115
H -3.185458 -2.295736 -2.346726
H -4.949634 -1.871347 -0.595966
H 4.146806 -2.452429 0.239305


