%chk=000079825.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000079825

0 1
 Cl   3.655900       3.000500     -0.3609000    
 Cl   6.643100      -1.304900     -0.4010000    
 S   -1.602300      0.9258000      0.6307000    
 O   -1.653100       1.252500       2.043500    
 O   -1.191300       1.933800     -0.3276000    
 N    1.661500      -1.383000      0.2234000    
 N  -0.6672000     -0.4930000      0.4446000    
 N    1.358100      0.8217000      9.2299998E-02
 N    4.070200      -1.490600     -7.1199998E-02
 N    5.027800      0.7352000     -0.3615000    
 N   -7.039800     -0.9279000     -0.9042000    
 C   0.7687000     -0.3445000      0.2551000    
 C    2.899900     -0.8420000      2.6500000E-02
 C    2.690300      0.5255000     -5.1700000E-02
 C   -3.220700      0.3738000      0.1736000    
 C    1.353200      -2.786300      0.3673000    
 C   -4.059500     -0.1340000       1.149200    
 C   -3.613700      0.4615000      -1.149500    
 C    3.812100       1.323400     -0.2533000    
 C   -5.334900     -0.5692000      0.7892000    
 C   -4.889200      2.6300000E-02  -1.509500    
 C   -5.749700     -0.4890000     -0.5400000    
 C    5.080600     -0.6153000     -0.2651000    
 H   -1.092300      -1.399900      0.2199000    
 H   0.7872000      -2.924000       1.292200    
 H   0.7596000      -3.096300     -0.4965000    
 H    2.275800      -3.369400      0.4133000    
 H   -3.752800     -0.2123000       2.187500    
 H   -2.954500      0.8529000      -1.918100    
 H   -5.995700     -0.9704000       1.553400    
 H   -5.200400      9.2500001E-02  -2.548900    
 H   -7.663600      -1.303100     -0.2022000    
 H   -7.340400     -0.8714000      -1.868100    


%chk=000079825-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000079825

0 1
Cl 4.228577 2.958536 0.664363
Cl 6.710955 -1.787441 0.114356
S -1.650742 1.370943 0.173632
O -1.512631 1.913143 1.688335
O -1.407616 2.322574 -1.109086
N 1.580598 -1.292529 -0.060948
N -0.580537 -0.176819 -0.005031
N 1.509630 1.001743 0.256775
N 4.022413 -1.620448 0.009295
N 5.235861 0.457910 0.360269
N -7.027851 -1.342715 -0.438703
C 0.790210 -0.123726 0.064328
C 2.904947 -0.865369 0.062496
C 2.836207 0.561104 0.260348
C -3.285988 0.490855 -0.020724
C 1.141879 -2.673735 -0.274204
C -3.932500 0.010109 1.134433
C -3.852114 0.402862 -1.307191
C 4.095010 1.178527 0.407502
C -5.185753 -0.607238 0.990449
C -5.105835 -0.215130 -1.444674
C -5.790188 -0.734617 -0.300390
C 5.146794 -0.876788 0.167914
H -1.098594 -1.038522 -0.188225
H 0.503125 -3.020795 0.557947
H 0.597906 -2.775905 -1.230716
H 2.043464 -3.305639 -0.313703
H -3.475035 0.141296 2.120656
H -3.332913 0.831732 -2.170699
H -5.709342 -0.984787 1.875813
H -5.567795 -0.290592 -2.435389
H -7.532787 -1.692906 0.371008
H -7.476455 -1.416733 -1.347836


