%chk=000004217.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004217

0 1
 Cl  -5.395200      -1.571500     -0.1475000    
 S   0.8013000       1.244800      0.2959000    
 O   0.5725000       1.979400     -0.9310000    
 O   0.7303000       1.880600       1.594700    
 N    2.294400      0.4055000      0.1599000    
 N    5.330300     -0.1767000     -0.3942000    
 C    2.432100     -0.4523000      -1.054900    
 C    3.501800       1.221600      0.4744000    
 C    3.278800      -1.674600     -0.7194000    
 C    4.712500      0.3544000      0.8140000    
 C    4.788400      -1.452800     -0.8514000    
 C  -0.5015000      1.9200001E-02  0.3447000    
 C   -1.817300      0.3408000      4.4799998E-02
 C  -0.1008000      -1.254400      0.6987000    
 C   -2.787400     -0.6881000      0.1068000    
 C   -2.215200       1.638800     -0.3142000    
 C   -1.054800      -2.265900      0.7596000    
 C   -2.389700      -1.986000      0.4659000    
 C   -4.126600     -0.3884000     -0.1920000    
 C   -3.550000       1.918600     -0.6080000    
 C   -4.503800      0.9071000     -0.5471000    
 H    2.866700      0.1249000      -1.879400    
 H    1.454900     -0.7958000      -1.404900    
 H    3.290900       1.839500       1.354900    
 H    3.718200       1.903700     -0.3567000    
 H    3.005300      -2.490000      -1.400800    
 H    3.052500      -2.031700      0.2926000    
 H    5.452800       1.006000       1.294400    
 H    4.475400     -0.4308000       1.541400    
 H    5.298700      -2.267900     -0.3231000    
 H    5.064200      -1.559000      -1.907400    
 H    6.334300     -0.2831000     -0.2508000    
 H   0.9108000      -1.502700      0.9914000    
 H   -1.548800       2.492200     -0.3273000    
 H  -0.7627000      -3.271400       1.049000    
 H   -3.094800      -2.810400      0.5313000    
 H   -3.847600       2.929600     -0.8715000    
 H   -5.539100       1.147000     -0.7769000    


%chk=000004217-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000004217

0 1
Cl -5.538830 -1.061174 1.576545
S 0.689082 0.818895 -1.091749
O 0.528208 0.535881 -2.691329
O 0.646639 2.369047 -0.562641
N 2.311291 -0.082316 -0.504092
N 5.216015 -0.078675 0.399999
C 3.254785 -0.174517 -1.666273
C 2.827785 0.644600 0.688016
C 4.160037 -1.412379 -1.463249
C 4.042497 -0.123911 1.278134
C 5.419913 -1.150246 -0.588440
C -0.630614 -0.194651 -0.157659
C -1.954636 0.343198 -0.015765
C -0.257542 -1.462780 0.270993
C -2.931225 -0.527708 0.631354
C -2.353225 1.644950 -0.467271
C -1.232956 -2.287337 0.910022
C -2.538845 -1.829965 1.081412
C -4.265226 -0.019944 0.773783
C -3.669847 2.074172 -0.301418
C -4.645367 1.239817 0.325397
H 3.865848 0.744064 -1.772834
H 2.636850 -0.298663 -2.574835
H 2.020249 0.687414 1.443586
H 3.143095 1.679946 0.448092
H 4.492858 -1.779120 -2.452986
H 3.538556 -2.213176 -1.021495
H 4.289721 0.373653 2.235059
H 3.728873 -1.163555 1.523499
H 5.724329 -2.121724 -0.125810
H 6.255962 -0.830345 -1.240037
H 6.075507 0.245682 0.846996
H 0.771516 -1.801662 0.120125
H -1.611905 2.308012 -0.921387
H -0.946153 -3.285120 1.256479
H -3.288504 -2.464282 1.563201
H -3.968411 3.067857 -0.649766
H -5.674530 1.586260 0.452241


