%chk=000040318.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040318

0 1
 Cl  -5.227100      -2.120400      -1.691600    
 O  -0.2638000       3.492200      0.3619000    
 O    1.707600       3.676300     -0.7292000    
 O   -1.408400      0.8245000      -1.567500    
 O   -3.378500     -0.7078000       2.298300    
 N  -0.2511000      0.8793000      0.4183000    
 N   -2.459400      3.9400000E-02  0.3430000    
 N   -2.356500     -0.2151000       1.808800    
 C   0.9453000       1.454000     -0.1535000    
 C    2.196300       1.035200      0.6298000    
 C    2.653100     -0.3665000      0.3044000    
 C   0.8498000       2.971700     -0.2072000    
 C    2.159200      -1.430200       1.042700    
 C    3.557700     -0.5640000     -0.7267000    
 C   -1.376000      0.5974000     -0.3537000    
 C   -3.700900     -0.3081000     -0.3369000    
 C    2.581100      -2.725400      0.7422000    
 C    3.979500      -1.859200      -1.027300    
 C    3.491000      -2.939800     -0.2928000    
 C   -3.698800      -1.733500     -0.8631000    
 H    1.015700       1.123300      -1.197700    
 H    3.028300       1.721200      0.4202000    
 H    2.024800       1.126600       1.711200    
 H  -0.2888000      0.7901000       1.427300    
 H    1.450600      -1.274200       1.851100    
 H    3.941600      0.2708000      -1.306000    
 H   -4.554400     -0.1266000      0.3268000    
 H   -3.826200      0.3811000      -1.181600    
 H    2.200700      -3.566700       1.313900    
 H    4.687500      -2.026400      -1.833700    
 H    3.819300      -3.948300     -0.5270000    
 H   -3.572900      -2.454800     -4.9699999E-02
 H   -2.884600      -1.888700      -1.577900    
 H  -0.2837000       4.471000      0.3009000    


%chk=000040318-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000040318

0 1
Cl -3.704617 -3.442706 -1.522524
O 0.289815 3.784581 1.371422
O 1.876819 4.257578 -0.264135
O -0.769801 0.310771 -1.648198
O -3.412695 -0.244023 2.079786
N -0.271134 1.383041 0.381890
N -2.190760 -0.000098 0.195131
N -2.397665 0.314765 1.545623
C 0.989579 1.965611 -0.073293
C 2.247297 1.221870 0.519836
C 2.260139 -0.252936 0.154926
C 1.103993 3.445903 0.282392
C 1.775512 -1.227979 1.063270
C 2.727367 -0.677676 -1.115263
C -1.014697 0.577490 -0.440500
C -3.074562 -0.904413 -0.573946
C 1.756340 -2.597410 0.711616
C 2.709484 -2.043552 -1.470869
C 2.222092 -3.008821 -0.558400
C -2.529973 -2.342814 -0.543213
H 1.023269 1.878394 -1.173044
H 3.142614 1.737059 0.125562
H 2.240613 1.350872 1.618490
H -0.610892 1.568570 1.330688
H 1.420455 -0.916006 2.053314
H 3.104979 0.063942 -1.830372
H -4.074899 -0.861213 -0.111644
H -3.113885 -0.539216 -1.611375
H 1.387156 -3.340299 1.427902
H 3.073599 -2.355784 -2.455814
H 2.210740 -4.069610 -0.832493
H -2.503199 -2.759477 0.473848
H -1.552108 -2.421201 -1.038717
H 0.417026 4.743186 1.605803


