%chk=000051399.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051399

0 1
 Cl   8.362300      -1.895600      0.8577000    
 O  -5.4800000E-02  0.5014000     -0.2990000    
 O    3.468200      0.9789000     -0.6456000    
 O    1.252500       2.393500     -9.9299997E-02
 N   -4.863500      0.1901000      0.2384000    
 C   -5.004800     -0.4085000      -1.093200    
 C   -6.074500      0.8441000      0.7366000    
 C   -6.294500      -1.182900      -1.382100    
 C   -6.923200     -0.1395000       1.547400    
 C   -6.812900      -2.017200     -0.2153000    
 C   -7.673500      -1.194700      0.7405000    
 C   -3.719400       1.103600      0.2538000    
 C   -2.432100      0.3449000     -5.2400000E-02
 C   -1.219900       1.266100     -2.2000000E-02
 C    1.127000       1.194300     -0.3074000    
 C    2.258100      0.2487000     -0.6148000    
 C    4.614100      0.3064000     -0.2954000    
 C    4.707500      -1.057900     -0.5352000    
 C    5.661300       1.000600      0.2954000    
 C    5.870000      -1.740800     -0.1775000    
 C    6.823800      0.3176000      0.6529000    
 C    6.928200      -1.053000      0.4166000    
 H   -4.892500      0.3482000      -1.881200    
 H   -4.202200      -1.141800      -1.232300    
 H   -5.808900       1.652300       1.431000    
 H   -6.653800       1.317800     -6.5399997E-02
 H   -6.099200      -1.851600      -2.230400    
 H   -7.074600     -0.4896000      -1.720600    
 H   -7.662600      0.4343000       2.120600    
 H   -6.290200     -0.6394000       2.292600    
 H   -5.990900      -2.507500      0.3189000    
 H   -7.444000      -2.817000     -0.6226000    
 H   -8.480900     -0.7091000      0.1779000    
 H   -8.163500      -1.878600       1.444700    
 H   -3.613900       1.548200       1.251700    
 H   -3.860500       1.929600     -0.4553000    
 H   -2.443300     -0.1141000      -1.046900    
 H   -2.285500     -0.4751000      0.6625000    
 H   -1.124600       1.727800      0.9679000    
 H   -1.327700       2.054200     -0.7766000    
 H    2.254200     -0.5068000      0.1809000    
 H    2.080100     -0.2033000      -1.596100    
 H    3.916700      -1.622800      -1.019100    
 H    5.582900       2.067800      0.4815000    
 H    5.940100      -2.807800     -0.3728000    
 H    7.640200      0.8666000       1.115200    


%chk=000051399-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000051399

0 1
Cl 8.851939 -1.835073 -0.397418
O -0.049007 0.526087 0.104509
O 3.543585 0.964015 0.190517
O 1.224819 2.419379 0.617247
N -4.995451 0.261298 0.016672
C -5.073170 -0.508777 -1.250323
C -6.257243 0.908260 0.468778
C -6.380258 -1.307838 -1.455540
C -7.091451 -0.012478 1.393400
C -6.895436 -2.067107 -0.205922
C -7.804321 -1.192002 0.692788
C -3.815855 1.154568 0.051295
C -2.474458 0.383782 -0.007040
C -1.304267 1.318033 0.295629
C 1.147667 1.217566 0.306939
C 2.292529 0.230634 0.088770
C 4.731968 0.229237 0.038350
C 4.795674 -1.163255 -0.216875
C 5.921250 0.990710 0.159228
C 6.056949 -1.790950 -0.349610
C 7.175217 0.365614 0.026794
C 7.226228 -1.021931 -0.226388
H -4.932854 0.164136 -2.138785
H -4.225912 -1.222060 -1.259219
H -5.982192 1.810439 1.047799
H -6.880993 1.267617 -0.384290
H -6.187767 -2.023056 -2.279588
H -7.185496 -0.638581 -1.818130
H -7.855412 0.603340 1.912811
H -6.402109 -0.401111 2.167971
H -6.037497 -2.449406 0.381427
H -7.479550 -2.948848 -0.536329
H -8.633547 -0.798830 0.066909
H -8.275795 -1.828243 1.468774
H -3.852401 1.724692 1.000074
H -3.831684 1.906892 -0.783743
H -2.321045 -0.064784 -1.005139
H -2.504205 -0.439121 0.730382
H -1.321158 1.693587 1.335535
H -1.270777 2.188756 -0.386080
H 2.225626 -0.566488 0.857787
H 2.174626 -0.240947 -0.907716
H 3.891699 -1.770846 -0.315799
H 5.841772 2.063405 0.356843
H 6.118389 -2.865114 -0.546552
H 8.096675 0.947204 0.119458


