%chk=000046394.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046394

0 1
 Cl   4.861500       2.546300      4.3800000E-02
 O    1.200100      -1.956900     -1.5100000E-02
 N   -4.383600      0.9308000     -0.2318000    
 N   -1.079600      -1.913200     -0.2978000    
 N   0.2597000      8.4899999E-02 -0.3042000    
 C   -2.956100     -0.8056000      0.8114000    
 C   -4.355000     -0.1920000      0.6974000    
 C   -2.371100      -1.305200     -0.5092000    
 C   0.1040000      -1.196800     -0.2135000    
 C   -3.519800       2.014100      0.2416000    
 C   -5.753000       1.416200     -0.4124000    
 C    1.618000      0.2231000     -0.1504000    
 C    2.197100      -1.024700      2.6900001E-02
 C    2.440700       1.358600     -0.1471000    
 C    3.555900      -1.248000      0.2115000    
 C    3.818700       1.173400      3.6600001E-02
 C    4.362700     -0.1050000      0.2122000    
 H   -2.262900     -0.1109000       1.300300    
 H   -3.025500      -1.658800       1.500600    
 H   -4.702700      0.1048000       1.695700    
 H   -5.036400     -0.9771000      0.3450000    
 H   -2.290600     -0.4956000      -1.243300    
 H   -3.043200      -2.055200     -0.9420000    
 H   -1.058400      -2.923400     -0.1889000    
 H   -2.461000       1.741500      0.1998000    
 H   -3.766400       2.328000       1.262500    
 H   -3.617200       2.890300     -0.4106000    
 H   -6.188400       1.783700      0.5239000    
 H   -6.395800      0.6192000     -0.8030000    
 H   -5.780400       2.227500      -1.148400    
 H    2.015400       2.348000     -0.2839000    
 H    3.966500      -2.240900      0.3463000    
 H    5.434800     -0.2282000      0.3530000    


%chk=000046394-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000046394

0 1
Cl 4.629018 2.804787 0.266020
O 1.200665 -2.067611 -0.158252
N -4.257847 0.933841 -0.212837
N -1.156361 -2.081628 -0.357835
N 0.091953 -0.003627 -0.169287
C -2.998085 -0.936656 0.927115
C -4.321905 -0.154405 0.792475
C -2.493130 -1.457376 -0.437646
C -0.032626 -1.330711 -0.228252
C -3.251597 1.972070 0.106608
C -5.590920 1.515690 -0.467053
C 1.490924 0.212245 -0.062348
C 2.177695 -1.037710 -0.049989
C 2.225745 1.411768 0.033761
C 3.562299 -1.169170 0.054585
C 3.625977 1.280026 0.138645
C 4.303451 0.038367 0.151284
H -2.215780 -0.293401 1.368414
H -3.155935 -1.781056 1.626170
H -4.607858 0.234512 1.806018
H -5.128436 -0.846947 0.477638
H -2.455673 -0.613573 -1.147077
H -3.191494 -2.207350 -0.851591
H -1.055023 -3.094744 -0.316183
H -2.235601 1.541111 0.123371
H -3.441636 2.473745 1.089975
H -3.271331 2.746812 -0.680531
H -6.030564 2.027253 0.427703
H -6.292212 0.722549 -0.784336
H -5.523478 2.258094 -1.282241
H 1.734720 2.387018 0.026475
H 4.060277 -2.141715 0.061596
H 5.392768 0.010693 0.234503


