%chk=000002782.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002782

0 1
 Cl   5.643100      -2.396200       1.102700    
 N   -2.942000      -1.441000      0.4257000    
 N  -0.1146000      0.5610000     -0.4939000    
 N   -1.595900       1.084700       1.078400    
 C   -3.570100     -0.8940000     -0.7767000    
 C   -3.373800      -2.837400      0.4779000    
 C   -4.974500      -1.477200     -0.7236000    
 C   -4.846200      -2.752500      0.1038000    
 C   -1.492900      -1.308000      0.4052000    
 C   -1.082800      0.1385000      0.3517000    
 C   1.8400000E-02   1.912200     -0.3012000    
 C   0.6443000     -0.2417000      -1.426400    
 C  -0.9169000       2.214800      0.6847000    
 C    1.897600     -0.7823000     -0.7925000    
 C   0.8509000       2.866500     -0.8868000    
 C   -1.042800       3.543400       1.124500    
 C   0.7122000       4.183800     -0.4370000    
 C  -0.2172000       4.518300      0.5506000    
 C    1.863500      -2.012000     -0.1491000    
 C    3.071300     -4.4100001E-02 -0.8600000    
 C    3.025300      -2.512800      0.4383000    
 C    4.233000     -0.5449000     -0.2727000    
 C    4.210000      -1.779300      0.3765000    
 H   -3.065600      -1.233000      -1.691000    
 H   -3.607300      0.1999000     -0.7838000    
 H   -2.842700      -3.458100     -0.2552000    
 H   -3.235100      -3.275700       1.471100    
 H   -5.362100      -1.682300      -1.726600    
 H   -5.666400     -0.7840000     -0.2307000    
 H   -5.169500      -3.634700     -0.4579000    
 H   -5.472100      -2.676800       1.000800    
 H   -1.097100      -1.899800     -0.4206000    
 H   -1.078800      -1.729000       1.330100    
 H   0.8974000      0.3888000      -2.288100    
 H   1.8999999E-02  -1.034400      -1.846300    
 H    1.564100       2.620900      -1.664000    
 H   -1.762000       3.813400       1.891100    
 H    1.337700       4.962000     -0.8673000    
 H  -0.3024000       5.551000      0.8790000    
 H   0.9615000      -2.611200     -0.1057000    
 H    3.112300      0.9110000      -1.372700    
 H    2.993900      -3.478100      0.9370000    
 H    5.149800      3.6300000E-02 -0.3311000    


%chk=000002782-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000002782

0 1
Cl 4.842720 -3.300343 1.922217
N -2.732172 -1.452779 0.208417
N 0.082177 0.808853 -1.001239
N -1.830899 1.354363 0.135446
C -4.016257 -0.844691 -0.232827
C -2.985959 -2.916456 0.251011
C -5.069824 -1.628524 0.585786
C -4.415017 -3.028786 0.848070
C -1.542820 -1.090999 -0.562718
C -1.138152 0.359469 -0.441626
C 0.167770 2.190298 -0.742523
C 1.087121 -0.003051 -1.696475
C -1.038615 2.513398 -0.035481
C 1.987149 -0.827702 -0.772946
C 1.147076 3.157797 -1.047926
C -1.280913 3.842501 0.376634
C 0.885596 4.481214 -0.629503
C -0.309175 4.818794 0.071222
C 2.546285 -2.042490 -1.239984
C 2.305304 -0.382506 0.533558
C 3.418832 -2.801732 -0.428715
C 3.173048 -1.130529 1.360096
C 3.719959 -2.328968 0.862851
H -4.180107 -1.002551 -1.332084
H -4.006148 0.236843 -0.031713
H -2.965116 -3.368026 -0.776557
H -2.218721 -3.427353 0.860944
H -6.028481 -1.705697 0.043627
H -5.261754 -1.112900 1.541846
H -4.979443 -3.850312 0.373035
H -4.369650 -3.235478 1.930643
H -1.665583 -1.329005 -1.660757
H -0.699240 -1.719616 -0.211549
H 1.706139 0.687970 -2.299571
H 0.579964 -0.672733 -2.416151
H 2.073863 2.911433 -1.578177
H -2.198859 4.092914 0.917013
H 1.619445 5.265547 -0.845633
H -0.470688 5.857601 0.379002
H 2.301869 -2.408344 -2.244908
H 1.869944 0.546594 0.916152
H 3.847890 -3.740677 -0.790162
H 3.415942 -0.787343 2.369856


