%chk=000044829.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044829

0 1
 Cl  -4.617200      -2.847300      0.2343000    
 O   0.4763000      -1.142500      0.9779000    
 N    5.447800     -0.5918000      -1.016300    
 N   -2.037700       2.351300     -0.4386000    
 C    3.028500     -1.3300000E-02  0.5437000    
 C    2.975700     -0.6661000     -0.8434000    
 C    4.314300      0.8113000      0.6851000    
 C    1.794100      0.8489000      0.7915000    
 C    4.260300      -1.440100      -1.138700    
 C    5.546200     -2.0500001E-02  0.3287000    
 C   0.4981000      5.5300001E-02  0.6916000    
 C  -0.7262000      0.7462000      0.2480000    
 C   -1.999400      0.1855000      9.4999999E-02
 C   -2.822900       1.224600     -0.3436000    
 C  -0.7497000       2.061200     -7.5999998E-02
 C   -2.560800      -1.093900      0.2775000    
 C   -4.185300       1.047400     -0.6098000    
 C   -3.922100      -1.285900      1.5000000E-02
 C   -4.720000     -0.2303000     -0.4217000    
 H    3.056600     -0.8146000       1.295200    
 H    2.833200      0.1040000      -1.613300    
 H    2.131200      -1.357600     -0.9293000    
 H    4.409800       1.182900       1.712200    
 H    4.270000       1.691600      3.0400001E-02
 H    1.802500       1.659800      5.7300001E-02
 H    1.831700       1.297500       1.790900    
 H    4.344400      -2.304400     -0.4683000    
 H    4.213800      -1.832700      -2.160500    
 H    6.434400      0.6191000      0.3748000    
 H    5.689800     -0.8193000       1.066700    
 H    6.280200      -1.149000      -1.206700    
 H  -6.5000001E-03   2.845500     -8.8600002E-02
 H   -2.366000       3.261300     -0.7316000    
 H   -1.948100      -1.924000      0.6173000    
 H   -4.807200       1.868600     -0.9500000    
 H   -5.777500     -0.3865000     -0.6240000    


%chk=000044829-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000044829

0 1
Cl -4.725167 -2.917758 0.411485
O 0.447952 -1.205521 0.626690
N 5.695522 -0.629539 -0.766904
N -2.235341 2.453533 -0.403717
C 3.061563 -0.048152 0.362696
C 3.239100 -0.662286 -1.050121
C 4.326505 0.760355 0.748313
C 1.796407 0.831967 0.450632
C 4.542216 -1.484164 -1.133128
C 5.599466 -0.102369 0.612277
C 0.477157 0.045200 0.390777
C -0.765044 0.778240 0.096228
C -2.113192 0.218145 0.062081
C -3.014082 1.290682 -0.253548
C -0.896931 2.147899 -0.196790
C -2.626298 -1.087899 0.270939
C -4.407544 1.105468 -0.367824
C -4.014090 -1.253305 0.153300
C -4.909077 -0.195103 -0.158662
H 2.940880 -0.886130 1.079675
H 3.286858 0.151166 -1.802233
H 2.375889 -1.309529 -1.291079
H 4.240963 1.132521 1.789397
H 4.423955 1.639643 0.080289
H 1.815468 1.598879 -0.349821
H 1.797952 1.389080 1.413073
H 4.440919 -2.374749 -0.460577
H 4.691009 -1.858707 -2.162831
H 6.497726 0.507453 0.823447
H 5.556668 -0.917847 1.380989
H 6.596970 -1.089699 -0.947498
H -0.130826 2.917447 -0.268107
H -2.598229 3.376839 -0.634060
H -1.953184 -1.912961 0.510894
H -5.088322 1.928407 -0.608761
H -5.981517 -0.395008 -0.234818


