%chk=000031843.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031843

0 1
 Cl   5.683700       1.324400     -0.1005000    
 N   -2.995700       2.876800      0.2410000    
 N   -1.417300      -1.891100      -1.459400    
 C   -1.066500      0.8851000     -0.5616000    
 C   -2.541000      0.6321000     -0.7191000    
 C  -0.6944000       2.342200     -0.5242000    
 C   -3.336700       1.445700      0.3080000    
 C   -1.560900       3.090500      0.4950000    
 C  -0.1677000     -0.1004000     -0.4331000    
 C    1.276100      0.2284000     -0.2812000    
 C  -0.7199000      -1.468600     -0.3741000    
 C    2.128700     -0.4225000      0.6386000    
 C    1.734600      -1.532800       1.596500    
 C   0.2573000      -1.726900       1.935500    
 C  -0.5196000      -2.251300      0.7620000    
 C   -3.802400       3.639600       1.193400    
 C    1.831900       1.201900      -1.142000    
 C    3.495700     -6.3299999E-02  0.6666000    
 C   -1.069200      -3.536000      0.7675000    
 C    3.182300       1.546200      -1.086400    
 C    4.016000      0.9136000     -0.1788000    
 C   -1.785400      -3.993500     -0.3325000    
 C   -1.929900      -3.140100      -1.411100    
 H   -2.838500      0.9313000      -1.732900    
 H   -2.886900     -0.3915000     -0.5850000    
 H   0.3118000       2.583900     -0.1888000    
 H  -0.8363000       2.779300      -1.520700    
 H   -4.404700       1.314000      9.3900003E-02
 H   -3.155700       1.049400       1.316700    
 H   -1.296700       2.772500       1.513300    
 H   -1.331000       4.160700      0.4191000    
 H    2.142700      -2.472400       1.199600    
 H    2.246800      -1.341900       2.549700    
 H  -0.1935000     -0.7940000       2.297000    
 H   0.1821000      -2.438400       2.767900    
 H   -4.869500       3.519900      0.9761000    
 H   -3.584300       4.710200       1.111500    
 H   -3.624100       3.329300       2.229400    
 H    1.252000       1.651800      -1.946100    
 H    4.161100     -0.5675000       1.367000    
 H  -0.9420000      -4.188100       1.627500    
 H    3.569300       2.291100      -1.776800    
 H   -2.217300      -4.987700     -0.3432000    
 H   -2.480600      -3.447300      -2.293800    


%chk=000031843-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000031843

0 1
Cl 5.867265 0.823641 -0.429355
N -3.085400 2.988125 0.401533
N -1.214599 -1.963126 -1.583296
C -1.133290 1.008376 -0.522098
C -2.626895 0.804152 -0.720717
C -0.767726 2.479964 -0.385413
C -3.448029 1.554069 0.357391
C -1.646474 3.165769 0.692686
C -0.235654 -0.024442 -0.402216
C 1.252413 0.173863 -0.307457
C -0.673513 -1.462455 -0.428764
C 2.091700 -0.436225 0.676955
C 1.624205 -1.327119 1.834231
C 0.105883 -1.599925 1.976721
C -0.485324 -2.252547 0.744506
C -3.946016 3.759965 1.317567
C 1.869396 0.955295 -1.329141
C 3.495476 -0.218019 0.616609
C -0.861844 -3.613853 0.695748
C 3.259126 1.171446 -1.387377
C 4.056533 0.574671 -0.393685
C -1.407179 -4.144930 -0.495441
C -1.569991 -3.281497 -1.601360
H -2.907864 1.218614 -1.709522
H -2.899811 -0.262767 -0.724898
H 0.294326 2.618620 -0.123422
H -0.953568 2.998315 -1.347682
H -4.526105 1.471676 0.123362
H -3.282555 1.058784 1.352152
H -1.377298 2.747047 1.699771
H -1.422080 4.248824 0.713904
H 2.145222 -2.301960 1.743792
H 1.984196 -0.877481 2.781678
H -0.418918 -0.645509 2.175090
H -0.045935 -2.247914 2.860469
H -5.003148 3.651887 1.014871
H -3.682537 4.831583 1.262615
H -3.859059 3.437588 2.386992
H 1.234057 1.376982 -2.114616
H 4.144035 -0.676581 1.371370
H -0.737763 -4.247320 1.582271
H 3.705708 1.769933 -2.186049
H -1.705995 -5.195582 -0.566596
H -2.000572 -3.645338 -2.541679


