%chk=000039976.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039976

0 1
 Cl  -5.978600      -3.002600      7.1800001E-02
 S    2.538900       2.996300     -0.2970000    
 O   -2.073700       2.479300      0.8991000    
 O    3.946100      0.6175000     -0.2445000    
 N    1.608600      0.5344000     -7.4999998E-03
 N   -1.306800      0.5935000     -0.2770000    
 N    1.565700       4.343400     -0.2655000    
 C   8.7399997E-02   2.540100      4.8599999E-02
 C    1.272800       1.890900     -5.8499999E-02
 C   0.3110000       3.941100     -7.6800004E-02
 C   -1.179800       1.890500      0.2555000    
 C   -2.413200     -0.2579000     -0.1945000    
 C  -0.7375000       4.983000     -1.4600000E-02
 C    2.891400     -2.1500001E-02 -0.1002000    
 C    2.958800      -1.469600      1.4000000E-02
 C   -3.560300      0.1577000      0.4779000    
 C   -2.364100      -1.519100     -0.7849000    
 C    4.119100      -2.078400      0.4924000    
 C    1.863200      -2.249900     -0.3550000    
 C   -4.663700     -0.6917000      0.5604000    
 C   -3.467500      -2.368300     -0.7024000    
 C   -4.617300      -1.954700     -2.9800000E-02
 C    4.183800      -3.467600      0.6016000    
 C    1.927700      -3.639000     -0.2456000    
 C    3.088100      -4.247700      0.2326000    
 H   0.8363000     -7.7299997E-02  0.2321000    
 H  -0.5497000      0.2424000     -0.8565000    
 H   -1.125900       5.076400       1.004700    
 H  -0.3541000       5.964500     -0.3146000    
 H   -1.569400       4.740500     -0.6840000    
 H   -3.686400       1.113600      0.9629000    
 H   -1.476700      -1.853700      -1.315200    
 H    4.982800      -1.489800      0.7906000    
 H   0.9556000      -1.823800     -0.7701000    
 H   -5.554000     -0.3575000       1.087500    
 H   -3.417300      -3.349400      -1.167700    
 H    5.086800      -3.941800      0.9748000    
 H    1.078000      -4.247400     -0.5415000    
 H    3.139000      -5.329400      0.3158000    


%chk=000039976-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000039976

0 1
Cl -5.803458 -3.327211 -0.118974
S 2.743443 3.101805 -0.413510
O -1.960642 2.417625 1.139265
O 3.869870 0.598587 -0.371837
N 1.590327 0.566249 0.032570
N -1.363671 0.786300 -0.454513
N 1.587837 4.514055 -0.354639
C 0.171803 2.617040 -0.009542
C 1.396240 1.939901 -0.125789
C 0.342170 4.059772 -0.119645
C -1.136344 1.965462 0.290258
C -2.443404 -0.139009 -0.343670
C -0.779312 5.063216 -0.016362
C 2.832809 -0.077243 -0.088793
C 2.854259 -1.558189 0.134039
C -3.452534 -0.039119 0.652159
C -2.477741 -1.216475 -1.271480
C 4.131231 -2.176992 0.185914
C 1.688725 -2.359209 0.282685
C -4.470299 -1.014422 0.715927
C -3.497938 -2.186713 -1.209900
C -4.483475 -2.075189 -0.209325
C 4.244009 -3.565918 0.392447
C 1.804240 -3.750207 0.488600
C 3.080832 -4.356772 0.546684
H 0.774289 0.025798 0.334541
H -0.765300 0.669430 -1.278448
H -1.293116 4.964778 0.954857
H -0.373962 6.081072 -0.124181
H -1.536991 4.893719 -0.803512
H -3.441872 0.798841 1.350617
H -1.710437 -1.298111 -2.052292
H 5.016302 -1.544980 0.061091
H 0.678832 -1.932784 0.227832
H -5.249321 -0.939514 1.480087
H -3.523993 -3.011070 -1.928022
H 5.234008 -4.031849 0.434427
H 0.901055 -4.358939 0.601223
H 3.166630 -5.436737 0.708109


