%chk=000004917.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004917

0 1
 Cl  -1.486600      -4.878800      0.2745000    
 S   -4.456000      0.6694000      0.2443000    
 N    3.376200     -0.4644000     -0.4530000    
 N    5.984400      0.3076000      0.5266000    
 N   -1.512300      0.2163000     -0.6468000    
 C    3.555800      0.7365000      0.3718000    
 C    4.593100     -0.7416000      -1.225900    
 C    2.221600     -0.3191000      -1.337200    
 C    4.766900      0.5851000       1.298600    
 C    5.805100     -0.8923000     -0.3000000    
 C   0.9217000     -0.1220000     -0.5541000    
 C  -0.3049000      1.4000000E-02  -1.458100    
 C    7.138100      0.1605000       1.411800    
 C   -2.208200     -0.9401000     -0.2122000    
 C   -1.852900       1.549400     -0.3043000    
 C   -3.540700     -0.8592000      0.2385000    
 C   -3.150300       1.877000      0.1368000    
 C   -1.595500      -2.211900     -0.1756000    
 C  -0.9088000       2.598500     -0.3532000    
 C   -4.223700      -2.008100      0.6758000    
 C   -3.480800       3.199400      0.4823000    
 C   -2.277500      -3.349700      0.2646000    
 C   -1.241300       3.910200     -3.8000001E-03
 C   -3.594000      -3.248200      0.6877000    
 C   -2.529500       4.211700      0.4110000    
 H    3.673400       1.632500     -0.2524000    
 H    2.705600      0.9031000       1.038700    
 H    4.471600      -1.675800      -1.787600    
 H    4.784000      5.6499999E-02  -1.956200    
 H    2.362300      0.5197000      -2.031500    
 H    2.116100      -1.226100      -1.946000    
 H    4.890700       1.518800       1.860600    
 H    4.576400     -0.2131000       2.029100    
 H    5.680700      -1.785300      0.3277000    
 H    6.695300      -1.051300     -0.9206000    
 H   0.9844000      0.7618000      7.9899997E-02
 H   0.8109000     -0.9536000      0.1496000    
 H  -0.4047000     -0.8661000      -2.107300    
 H  -0.1665000      0.8367000      -2.172400    
 H    8.051500     -1.5000000E-03  0.8288000    
 H    7.021700     -0.6765000       2.109700    
 H    7.295000       1.075400       1.993800    
 H  -0.5747000      -2.361400     -0.5119000    
 H   0.1110000       2.452600     -0.6920000    
 H   -5.256800      -1.948200       1.012600    
 H   -4.485900       3.455300      0.8114000    
 H  -0.4915000       4.693800     -6.4300001E-02
 H   -4.142400      -4.121500       1.030400    
 H   -2.793900       5.229700      0.6798000    


%chk=000004917-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000004917

0 1
Cl -1.308370 -4.824975 0.834612
S -4.681925 0.550545 -0.203538
N 3.465086 -0.230876 -0.461925
N 6.164686 0.082048 0.560063
N -1.602444 0.192477 -0.685098
C 3.763862 0.708175 0.649685
C 4.650532 -0.368851 -1.347045
C 2.248087 0.125593 -1.224156
C 4.986414 0.224705 1.447343
C 5.865733 -0.859123 -0.544756
C 0.951789 -0.004185 -0.395447
C -0.285670 -0.009385 -1.335415
C 7.385736 -0.285734 1.301045
C -2.268051 -0.937550 -0.130840
C -2.031564 1.535214 -0.440606
C -3.649706 -0.898618 0.223208
C -3.386353 1.844473 -0.126458
C -1.573845 -2.163456 0.079171
C -1.117973 2.625258 -0.519663
C -4.288203 -2.013292 0.798719
C -3.796508 3.165461 0.138012
C -2.249907 -3.274537 0.612632
C -1.538900 3.954369 -0.297031
C -3.599392 -3.233051 0.994306
C -2.877362 4.235161 0.045265
H 3.968872 1.739711 0.263666
H 2.892906 0.759496 1.326967
H 4.414729 -1.101466 -2.141879
H 4.913694 0.603571 -1.835743
H 2.311139 1.162531 -1.653932
H 2.189184 -0.569656 -2.086483
H 5.223682 0.962602 2.236755
H 4.727903 -0.745015 1.945825
H 5.651044 -1.889562 -0.160816
H 6.747597 -0.917347 -1.210251
H 0.860769 0.821993 0.332417
H 1.012626 -0.936457 0.193634
H -0.325347 -0.963801 -1.891870
H -0.170648 0.785530 -2.095849
H 8.244553 -0.324754 0.606882
H 7.310863 -1.277906 1.815166
H 7.600947 0.480525 2.067601
H -0.514605 -2.259704 -0.158010
H -0.066670 2.447201 -0.755102
H -5.345249 -1.940154 1.074809
H -4.844415 3.356856 0.393252
H -0.808035 4.765888 -0.380708
H -4.100230 -4.105985 1.419025
H -3.206959 5.261756 0.232557


