%chk=000029569.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000029569

0 1
 Cl   1.667200       4.910800     -0.9060000    
 O    2.652400     -0.5725000      0.9412000    
 O   -1.721700     -0.9632000      -1.526500    
 O   -5.030600      0.2144000       1.434700    
 N  -0.3634000     -0.6018000      0.3544000    
 N   -2.549700      0.2929000      0.2014000    
 N   -3.730400      0.5012000     -0.4708000    
 C   6.6699997E-02  0.4380000       1.303500    
 C    1.142600       1.271500      0.6769000    
 C   0.5712000      -1.681900      8.7600000E-02
 C    2.391700      0.6883000      0.4706000    
 C    1.951400      -1.627400      0.3895000    
 C   0.9174000       2.579800      0.2392000    
 C   8.1799999E-02  -2.895900     -0.4415000    
 C   -1.559500     -0.4722000     -0.4046000    
 C    3.429800       1.407700     -0.1192000    
 C    2.777900      -2.744100      0.1615000    
 C    1.946800       3.299000     -0.3706000    
 C   0.9155000      -3.992600     -0.6812000    
 C    3.201900       2.714700     -0.5467000    
 C    2.266000      -3.916600     -0.3809000    
 C   -4.916600      0.4414000      0.2329000    
 C   -6.108300      0.7085000     -0.6454000    
 H   0.4167000     -4.0600002E-02   2.227200    
 H  -0.7525000       1.093300       1.604400    
 H  -6.1900001E-02   3.033200      0.3738000    
 H  -0.9773000      -3.040500     -0.6404000    
 H    4.410400      0.9589000     -0.2491000    
 H    3.837700      -2.696000      0.4038000    
 H   0.4988000      -4.910300      -1.086100    
 H    4.012400       3.268400      -1.013800    
 H    2.916000      -4.768000     -0.5566000    
 H   -2.534400      0.5802000       1.172500    
 H   -3.668500      0.7173000      -1.460500    
 H   -6.220600       1.787300     -0.7842000    
 H   -5.986900      0.2275000      -1.620300    
 H   -7.009100      0.3087000     -0.1715000    


%chk=000029569-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000029569

0 1
Cl 0.613041 5.155541 0.508353
O 2.575400 -0.501666 -0.140624
O -2.087633 -1.949370 -0.878212
O -3.634345 2.438312 0.217314
N -0.329715 -1.106461 0.479760
N -2.271947 0.157323 0.054941
N -3.548137 0.265151 -0.521106
C 0.108796 -0.086092 1.468060
C 0.851902 1.058960 0.807028
C 0.621779 -2.127542 0.146802
C 1.995660 0.773418 0.017727
C 1.989341 -1.795255 -0.078123
C 0.431452 2.402946 0.943330
C 0.237542 -3.492292 0.089860
C -1.575511 -1.027277 -0.163374
C 2.721094 1.814812 -0.603352
C 2.938943 -2.816099 -0.316218
C 1.160675 3.430862 0.316198
C 1.180411 -4.503196 -0.176285
C 2.305271 3.153760 -0.456848
C 2.541221 -4.164676 -0.367105
C -4.197857 1.475312 -0.404708
C -5.566766 1.557527 -1.051086
H 0.765387 -0.604428 2.190207
H -0.765134 0.276795 2.036080
H -0.449615 2.647185 1.548524
H -0.816825 -3.734539 0.239518
H 3.606112 1.561887 -1.193536
H 3.978513 -2.517429 -0.479877
H 0.856492 -5.547555 -0.225032
H 2.860577 3.963461 -0.938152
H 3.286308 -4.942679 -0.562295
H -1.911335 1.066977 0.362879
H -3.837244 -0.566476 -1.046179
H -5.564209 2.360132 -1.808572
H -5.874664 0.612830 -1.530812
H -6.314076 1.829241 -0.285885


