%chk=000039526.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039526

0 1
 Cl   2.743600       4.865500     -0.7181000    
 S    4.548000     -0.7710000       1.369500    
 O   0.6427000      0.1556000      -2.320400    
 N   -5.489100      0.8424000      0.4509000    
 N   -2.873900     -0.1706000     -9.3099996E-02
 N    1.938000     -0.2334000     -0.4101000    
 C   -5.262900     -0.5782000      0.1818000    
 C   -6.611600     -0.9792000     -0.3887000    
 C   -4.064500     -0.7454000     -0.7453000    
 C   -6.760000      0.9022000       1.158600    
 C   -7.605500     -0.1389000      0.4206000    
 C   -4.350300       1.425700       1.144200    
 C   -3.092400       1.240500      0.2762000    
 C   -1.697900     -0.3063000     -0.9499000    
 C  -0.4691000      0.1700000     -0.2030000    
 C   0.7394000      1.0800000E-02  -1.101300    
 C    2.800500      0.8768000     -7.8900002E-02
 C    2.329300      -1.595700     -0.1289000    
 C    3.984500      0.7462000      0.6608000    
 C    3.448900      -1.942600      0.6384000    
 C    2.437000       2.185800     -0.4744000    
 C    1.578600      -2.659800     -0.6830000    
 C    4.783900       1.874900      0.9371000    
 C    3.763800      -3.297700      0.8694000    
 C    3.233400       3.300200     -0.1954000    
 C    1.898500      -4.000200     -0.4534000    
 C    4.415600       3.143400      0.5049000    
 C    2.991500      -4.320800      0.3314000    
 H   -5.089400      -1.131900       1.117300    
 H   -6.804700      -2.051300     -0.2819000    
 H   -6.691800     -0.7257000      -1.453000    
 H   -3.908600      -1.814200     -0.9352000    
 H   -4.250500     -0.2620000      -1.714000    
 H   -7.212300       1.897300       1.109600    
 H   -6.655600      0.6167000       2.212800    
 H   -8.330200      0.3360000     -0.2500000    
 H   -8.159300     -0.7609000       1.132100    
 H   -4.198800      0.9602000       2.127100    
 H   -4.517500       2.496600       1.307200    
 H   -3.174200       1.867500     -0.6221000    
 H   -2.269600       1.630000      0.8822000    
 H   -1.833800      0.2528000      -1.885100    
 H   -1.561800      -1.359800      -1.226000    
 H  -0.4970000       1.234900      4.4399999E-02
 H  -0.3262000     -0.3953000      0.7250000    
 H    1.518500       2.358800      -1.032100    
 H   0.7129000      -2.469800      -1.313100    
 H    5.705600       1.777300       1.508800    
 H    4.627400      -3.572800       1.473200    
 H    1.290400      -4.786100     -0.8915000    
 H    5.051700       3.993200      0.7357000    
 H    3.249700      -5.358400      0.5176000    


%chk=000039526-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000039526

0 1
Cl 5.025743 2.463864 -4.033926
S 3.512777 0.966825 2.055870
O 0.603920 1.378407 -1.874854
N -5.668226 -0.433479 0.829207
N -3.049791 0.051995 -0.230204
N 1.953527 0.149619 -0.416371
C -5.484784 -0.065674 -0.599083
C -6.841551 0.582314 -0.951659
C -4.230591 0.804510 -0.739699
C -7.006759 -1.059156 0.902939
C -7.873356 -0.159952 -0.030431
C -4.523909 -1.192564 1.356653
C -3.244247 -0.348577 1.189368
C -1.784024 0.785467 -0.463387
C -0.556674 -0.147510 -0.355656
C 0.685767 0.513344 -0.958140
C 3.129464 0.929577 -0.738145
C 2.136110 -0.938309 0.517955
C 3.966827 1.365221 0.320028
C 2.845776 -0.710337 1.724159
C 3.461677 1.251998 -2.074910
C 1.676533 -2.245002 0.223939
C 5.123963 2.126100 0.051969
C 3.037639 -1.753750 2.654697
C 4.607649 2.029541 -2.313912
C 1.846793 -3.285391 1.161706
C 5.448207 2.478007 -1.276491
C 2.518138 -3.038959 2.382481
H -5.330638 -0.986874 -1.220984
H -7.080067 0.474766 -2.024213
H -6.815732 1.660918 -0.713161
H -4.052833 1.054468 -1.802280
H -4.394242 1.757401 -0.175832
H -7.374389 -1.083639 1.944667
H -6.992435 -2.111992 0.518583
H -8.456978 0.567742 0.558429
H -8.586725 -0.766880 -0.614993
H -4.389783 -2.169223 0.823066
H -4.685007 -1.406887 2.430080
H -3.319868 0.549096 1.854228
H -2.374482 -0.946029 1.517429
H -1.659291 1.650049 0.236367
H -1.804355 1.201694 -1.485384
H -0.363513 -0.455847 0.685563
H -0.800571 -1.066604 -0.924062
H 2.818395 0.926440 -2.892709
H 1.186446 -2.437717 -0.735505
H 5.772109 2.444282 0.874240
H 3.596371 -1.563325 3.576751
H 1.471425 -4.287851 0.931983
H 6.335544 3.077723 -1.495687
H 2.658918 -3.846538 3.108220


