%chk=000042481.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042481

0 1
 Cl   4.124600       4.096500       1.221000    
 S    1.351900     -0.6639000      -1.834100    
 N  -0.8602000      0.5889000      3.4499999E-02
 N   -4.468600      0.3552000      0.2420000    
 C   -3.129600      0.4431000     -0.3146000    
 C   -2.049700      1.7400000E-02  0.6687000    
 C   -2.729400       1.870200     -0.6817000    
 C   -1.233700       1.946900     -0.3731000    
 C   0.3054000      0.5650000      0.9045000    
 C   0.5694000     -0.8290000       1.496600    
 C    1.552600       1.153600      0.2777000    
 C   -5.456900      0.9001000     -0.6931000    
 C    1.036700      -2.012300      0.6691000    
 C   -4.802400      -1.032000      0.5764000    
 C    2.113700      0.6506000     -0.9079000    
 C    2.195600       2.223200      0.9276000    
 C    1.400100      -2.034400     -0.6899000    
 C   -6.864000      0.7807000     -0.1450000    
 C    1.128900      -3.223600       1.398000    
 C    3.283300       1.226700      -1.426800    
 C    3.361500       2.785200      0.4083000    
 C    1.818700      -3.251400      -1.270800    
 C    3.905400       2.286700     -0.7692000    
 C    1.550900      -4.414900      0.8111000    
 C    1.895900      -4.428500     -0.5292000    
 H   -3.050500     -0.1781000      -1.220700    
 H   -2.226000      0.4357000       1.668800    
 H   -1.991100      -1.073500      0.7270000    
 H   -3.249200       2.619300     -7.1400002E-02
 H   -2.938100       2.083900      -1.735800    
 H  -0.6715000       2.269400      -1.255600    
 H   -1.074500       2.684500      0.4240000    
 H   6.1999999E-02   1.190200       1.778100    
 H  -0.3001000      -1.149800       2.085700    
 H    1.362800     -0.6875000       2.248900    
 H   -5.276500       1.967000     -0.8637000    
 H   -5.405800      0.4016000      -1.669700    
 H   -4.860500      -1.671100     -0.3125000    
 H   -5.747200      -1.104100       1.124700    
 H   -4.071300      -1.472200       1.262200    
 H    1.779500       2.619000       1.852300    
 H   -7.244700     -0.2448000     -0.1826000    
 H   -6.933300       1.150400      0.8839000    
 H   -7.546000       1.386100     -0.7530000    
 H   0.8650000      -3.239600       2.454800    
 H    3.723700      0.8579000      -2.350700    
 H    2.095600      -3.298600      -2.323400    
 H    4.811500       2.713900      -1.190700    
 H    1.607700      -5.324000       1.401600    
 H    2.224200      -5.349500      -1.001100    


%chk=000042481-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000042481

0 1
Cl 3.924772 4.771333 1.231460
S 1.855254 -0.563055 -1.747497
N -0.605288 0.568324 0.222104
N -4.275604 0.114521 0.241319
C -2.880316 0.177114 -0.279180
C -1.809637 -0.059545 0.813627
C -2.506319 1.585623 -0.846454
C -1.063555 1.867709 -0.341173
C 0.575530 0.651754 1.101718
C 1.015130 -0.751869 1.629936
C 1.741655 1.367218 0.420474
C -5.263762 0.345722 -0.851719
C 0.899913 -1.939075 0.680061
C -4.537733 -1.161439 0.948055
C 2.387519 0.872542 -0.743362
C 2.237041 2.556089 1.011932
C 1.253402 -1.950173 -0.695364
C -6.699933 0.569771 -0.342591
C 0.423430 -3.159786 1.237154
C 3.486315 1.574554 -1.301704
C 3.324284 3.239429 0.440833
C 1.121332 -3.138605 -1.463901
C 3.960934 2.769365 -0.721663
C 0.295145 -4.343704 0.484680
C 0.645432 -4.329727 -0.884385
H -2.717785 -0.591886 -1.076536
H -2.132616 0.444713 1.762002
H -1.630628 -1.127991 1.015760
H -3.210267 2.336635 -0.446927
H -2.560082 1.606555 -1.947668
H -0.380942 2.202111 -1.141038
H -1.080093 2.664767 0.444351
H 0.334711 1.259873 2.016858
H 0.411465 -0.988410 2.525644
H 2.059140 -0.652660 1.987222
H -4.945533 1.247868 -1.403331
H -5.253373 -0.501084 -1.588369
H -4.420295 -2.059306 0.288208
H -5.563242 -1.162232 1.352351
H -3.848222 -1.268896 1.801498
H 1.756032 2.945409 1.915062
H -7.141700 -0.342540 0.095768
H -6.710261 1.363530 0.425313
H -7.352761 0.882820 -1.178211
H 0.148761 -3.167330 2.299721
H 3.984183 1.176595 -2.192182
H 1.402077 -3.126426 -2.523634
H 4.809779 3.304501 -1.155965
H -0.072653 -5.260747 0.956881
H 0.555166 -5.233858 -1.495938


