%chk=000135939.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000135939

0 1
 Cl  -5.139000      -1.928100      -2.046000    
 O    3.022000      -1.541700       1.440600    
 O    3.488000      -2.407200     -0.6030000    
 O   -2.308900       1.838600      -1.010200    
 O   -3.108700      -1.477600       2.077900    
 N  -0.8897000       1.573300      0.7802000    
 N    5.384300     -0.4185000     -0.9613000    
 N   -2.769800      0.1506000      0.5095000    
 N   -2.357600     -0.5493000       1.760100    
 C    2.083600       1.178600      0.1276000    
 C    3.297400      0.8400000     -0.7438000    
 C    1.129500       2.206400     -0.4943000    
 C    4.251800     -0.1547000     -6.9799997E-02
 C  -1.6000001E-02   2.649900      0.4111000    
 C    3.569300      -1.484900      0.1986000    
 C   -2.013200       1.227900      2.2000000E-02
 C   -3.963800     -0.3138000     -0.1852000    
 C   -3.659300      -1.389500      -1.214200    
 H    2.435000       1.560000       1.094500    
 H    1.511500      0.2672000      0.3330000    
 H    2.938800      0.4311000      -1.697900    
 H    3.837500       1.766600     -0.9767000    
 H   0.7206000       1.790300      -1.423600    
 H    1.706100       3.096300     -0.7755000    
 H    4.637500      0.2502000      0.8725000    
 H  -0.5967000       3.432900     -8.9000002E-02
 H   0.3818000       3.076000       1.338400    
 H  -0.6557000       1.054200       1.618600    
 H    6.062100      -1.012500     -0.4846000    
 H    5.868400      0.4551000      -1.165700    
 H   -4.412600      0.5477000     -0.6958000    
 H   -4.711000     -0.6538000      0.5414000    
 H   -3.206300      -2.268200     -0.7449000    
 H   -2.965000      -1.021000      -1.976000    
 H    2.571500      -2.397800       1.602600    


%chk=000135939-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000135939

0 1
Cl -6.209860 -1.302491 -1.528071
O 2.855556 -1.675890 0.958170
O 4.852426 -2.498342 0.122770
O -2.832724 2.009192 -0.744682
O -2.653796 -1.939267 1.619379
N -0.895208 1.367719 0.427995
N 5.806358 -0.018255 -0.469468
N -2.840993 0.006445 0.486927
N -2.061268 -0.869716 1.247937
C 2.179536 1.189893 0.139641
C 3.440261 0.752008 -0.636086
C 1.227145 2.039347 -0.732996
C 4.501616 -0.047246 0.189722
C -0.048052 2.499197 0.009859
C 4.125583 -1.516569 0.393025
C -2.185586 1.223791 0.001432
C -4.260296 -0.253065 0.156089
C -4.384419 -0.975295 -1.195748
H 2.482606 1.779824 1.031429
H 1.661397 0.289364 0.516314
H 3.167203 0.162021 -1.531687
H 3.968411 1.650638 -1.011686
H 0.932902 1.469203 -1.636092
H 1.758350 2.946273 -1.086251
H 4.512341 0.394557 1.218728
H -0.668392 3.142333 -0.636758
H 0.232604 3.089495 0.905284
H -0.513700 0.629749 1.027943
H 6.336750 -0.891096 -0.443547
H 6.346364 0.839735 -0.371204
H -4.778990 0.716454 0.112546
H -4.678005 -0.878855 0.962904
H -3.896998 -1.960673 -1.192653
H -4.032102 -0.349019 -2.027068
H 2.676381 -2.647160 1.087004


