%chk=000114118.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000114118

0 1
 I   -6.856400       1.179100      0.8529000    
 Cl   4.774000       2.539500      -1.037800    
 O  -0.6977000      0.1065000      0.7342000    
 O    1.860300       2.718100      -1.078200    
 O  -0.5618000       1.523200      -1.112600    
 N   -2.310700      -1.582000     -0.7241000    
 C    3.242600     -0.9323000      0.4021000    
 C    4.170200      5.2800000E-02 -1.2100000E-02
 C    1.413300      0.5591000     -0.1878000    
 C    1.867400     -0.6634000      0.3081000    
 C    3.695400       1.277800     -0.5085000    
 C    2.325600       1.527800     -0.5956000    
 C   -2.861400     -0.5734000     -2.2500001E-02
 C   -4.254200     -0.3497000     -8.6000003E-03
 C   -2.083100      0.2890000      0.7171000    
 C    3.717600      -2.157300      0.8986000    
 C    5.545500     -0.2157000      8.2199998E-02
 C  -2.1600001E-02  0.7967000     -0.2684000    
 C   -4.794800      0.7131000      0.7350000    
 C   -2.590100       1.341400       1.457200    
 C    5.087400      -2.407300      0.9848000    
 C    5.999600      -1.438300      0.5776000    
 C   -5.068500      -1.213800     -0.7529000    
 C   -3.962800       1.556200       1.466000    
 C   -4.504000      -2.254000      -1.477000    
 C   -3.131700      -2.393300      -1.429600    
 H    1.162800      -1.434800      0.6145000    
 H    3.023000      -2.929400       1.223000    
 H    6.300900      0.5038000     -0.2211000    
 H   -1.934900       1.994400       2.025600    
 H    5.441700      -3.358800       1.370500    
 H    7.065800      -1.634100      0.6454000    
 H   -6.147800      -1.116200     -0.7991000    
 H   -4.354200       2.385400       2.049400    
 H   -5.118100      -2.931700      -2.058100    
 H   -2.634300      -3.188200      -1.975600    
 H    2.623700       3.272800      -1.314400    


%chk=000114118-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000114118

0 1
I -7.096827 0.276899 1.113380
Cl 4.986004 2.119442 -1.702067
O -0.712226 0.715343 0.917271
O 2.031427 2.712179 -1.507840
O -0.629598 1.778856 -1.178818
N -1.964941 -1.062577 -0.823856
C 3.109618 -0.863124 0.518758
C 4.145668 -0.107411 -0.162864
C 1.393864 0.765618 -0.205347
C 1.761064 -0.398567 0.479056
C 3.736460 1.080939 -0.837096
C 2.410560 1.536965 -0.880954
C -2.761982 -0.301885 0.012620
C -4.212199 -0.420529 0.042959
C -2.120407 0.634476 0.895211
C 3.467120 -2.064206 1.214582
C 5.495711 -0.583771 -0.116759
C -0.039304 1.157163 -0.284638
C -4.939447 0.387673 0.980107
C -2.860798 1.397155 1.792535
C 4.789951 -2.507722 1.244965
C 5.807249 -1.758470 0.572883
C -4.798416 -1.352368 -0.874682
C -4.281833 1.269548 1.840100
C -3.983620 -2.097932 -1.727060
C -2.564897 -1.926845 -1.660333
H 0.976547 -0.971090 0.980895
H 2.677665 -2.628860 1.723840
H 6.279321 -0.016666 -0.628005
H -2.346750 2.098649 2.455366
H 5.054829 -3.425795 1.779250
H 6.843632 -2.112267 0.600300
H -5.886899 -1.468977 -0.894866
H -4.847022 1.877425 2.551300
H -4.411551 -2.811563 -2.437114
H -1.904282 -2.512392 -2.309975
H 2.825010 3.147685 -1.922905


