%chk=000126988.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000126988

0 1
 Cl   1.280200       1.346300      -2.309100    
 O   -1.296400     -0.3274000       2.488300    
 O   -3.645500       2.411200       1.058700    
 N   -1.551300     -0.9703000     -0.4519000    
 N   0.1261000       1.091800       1.053100    
 N   -3.512000     -0.2996000      -1.301400    
 N   -5.131400       1.876700     -0.5853000    
 C   -1.947400      0.1317000      0.2800000    
 C  -0.3855000      -1.745300     -0.2382000    
 C   0.7724000      -1.202800      0.3511000    
 C   -1.200400      0.6517000       1.453500    
 C   0.9873000      0.2647000      0.5693000    
 C   -3.140100      0.5315000     -0.2836000    
 C   -2.557700      -1.200800      -1.364200    
 C  -0.4114000      -3.104900     -0.5912000    
 C    2.302500      0.8498000      0.1714000    
 C    1.848400      -2.056400      0.6535000    
 C   0.6765000      -3.930800     -0.3064000    
 C    1.797900      -3.411500      0.3295000    
 C   -3.950800       1.640400      0.1231000    
 C    2.517300       1.358600      -1.104000    
 C    3.315600      0.8709000       1.123500    
 C    3.761900       1.895900      -1.432300    
 C    4.560300       1.408100      0.7951000    
 C    4.783500       1.920600     -0.4828000    
 H   -1.690300       1.534200       1.865500    
 H   -2.536000      -2.017400      -2.073500    
 H   -1.284000      -3.564500      -1.047300    
 H    2.751200      -1.698600       1.136300    
 H   0.6387000      -4.985000     -0.5653000    
 H    2.638800      -4.057700      0.5633000    
 H    3.152300      0.4875000       2.127300    
 H  -0.6657000     -6.3100003E-02   3.179500    
 H    3.952100       2.299300      -2.423700    
 H    5.354700       1.430200       1.535400    
 H    5.752400       2.339600     -0.7382000    
 H   -5.422300       1.287900      -1.359300    
 H   -5.737900       2.653200     -0.3435000    


%chk=000126988-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000126988

0 1
Cl 2.112176 -0.033957 -2.540885
O -1.054435 -0.590926 2.484188
O -3.761914 2.364391 1.439874
N -1.599918 -0.924393 -0.464385
N 0.176592 1.037479 1.093780
N -3.557302 -0.127796 -1.287574
N -5.177145 1.927128 -0.374156
C -1.992994 0.127062 0.386219
C -0.450980 -1.762646 -0.299441
C 0.791897 -1.228189 0.153927
C -1.160391 0.553802 1.551722
C 1.007114 0.221650 0.480970
C -3.198718 0.602487 -0.134711
C -2.586183 -1.035985 -1.455256
C -0.573996 -3.135277 -0.613392
C 2.349844 0.816734 0.149062
C 1.887118 -2.122459 0.286247
C 0.530337 -3.999039 -0.478814
C 1.766270 -3.491813 -0.017330
C -4.050263 1.704018 0.389349
C 2.966788 0.748662 -1.124765
C 3.038516 1.535743 1.164559
C 4.220619 1.335006 -1.386213
C 4.296445 2.124689 0.928206
C 4.894254 2.017436 -0.348956
H -1.667528 1.405531 2.034689
H -2.519733 -1.751122 -2.270533
H -1.545218 -3.530572 -0.927367
H 2.847461 -1.727186 0.632783
H 0.420315 -5.062379 -0.715612
H 2.626485 -4.157788 0.104262
H 2.549410 1.625214 2.139368
H -0.845166 -0.236272 3.385349
H 4.652599 1.270306 -2.389011
H 4.805420 2.667266 1.731348
H 5.870855 2.471552 -0.547167
H -5.333665 1.349373 -1.202439
H -5.830968 2.657972 -0.101696


