%chk=000047920.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047920

0 1
 Cl   7.206700      0.1768000      0.9480000    
 S   -3.232100      0.8843000      -1.361300    
 O    1.067300      -2.232200      0.2257000    
 N   0.4497000     -0.1277000     -0.3336000    
 N   -5.055100      0.8949000      0.6368000    
 N   -3.093400       1.882700       1.187600    
 N   -5.017300       1.374300       1.888000    
 N   -3.873900       1.967600       2.257900    
 C  -0.8791000     -0.4187000     -0.5792000    
 C   0.6416000       1.238000     -0.5700000    
 C  -0.5931000       1.780500     -0.9525000    
 C   -1.536600      0.7266000     -0.9515000    
 C   -1.458900      -1.744900     -0.4489000    
 C    1.426300      -1.072500      4.9899999E-02
 C    1.784600       2.054600     -0.4701000    
 C  -0.6861000       3.156300      -1.250000    
 C    1.668300       3.415800     -0.7699000    
 C   0.4507000       3.961500      -1.155800    
 C    2.852500     -0.7642000      0.2708000    
 C   -1.473300      -2.599100      -1.545000    
 C   -1.992500      -2.144800      0.7703000    
 C   -2.029500      -3.872200      -1.419900    
 C   -2.548700      -3.417700      0.8953000    
 C    3.290800     -0.3859000       1.537200    
 C    3.753300     -0.8539000     -0.7873000    
 C   -2.567200      -4.281600     -0.1997000    
 C   -3.839100       1.243900      0.2684000    
 C    4.638800     -9.5299996E-02   1.747000    
 C    5.101300     -0.5633000     -0.5776000    
 C    5.544100     -0.1839000      0.6896000    
 H    2.756200       1.691200     -0.1740000    
 H   -1.630500       3.601700      -1.550800    
 H    2.544700       4.055000     -0.6982000    
 H   0.3802000       5.021300      -1.384200    
 H   -1.057100      -2.293900      -2.501800    
 H   -1.984700      -1.482400       1.632400    
 H   -2.043600      -4.544800      -2.272500    
 H   -2.967300      -3.736400       1.845400    
 H    2.592800     -0.3136000       2.367000    
 H    3.417600      -1.148100      -1.778100    
 H   -3.000200      -5.272800     -0.1023000    
 H    4.969200      0.1995000       2.739600    
 H    5.795300     -0.6359000      -1.411100    
 H   -5.807500       1.291700       2.518900    


%chk=000047920-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000047920

0 1
Cl 7.375160 -0.804261 -0.773467
S -3.129335 0.791747 -1.455505
O 1.067780 -1.561225 1.726806
N 0.538006 0.030056 0.078083
N -5.240395 2.125055 -0.221144
N -4.013876 0.852106 1.261114
N -5.738019 2.153463 1.056968
N -5.018524 1.409534 1.981926
C -0.798221 -0.366798 -0.238535
C 0.665331 1.439813 -0.137250
C -0.597319 1.912844 -0.621843
C -1.482770 0.766701 -0.681097
C -1.243190 -1.774811 -0.192667
C 1.469919 -0.791181 0.818938
C 1.736141 2.324174 0.112394
C -0.774770 3.284755 -0.921334
C 1.537516 3.690699 -0.181983
C 0.301545 4.166445 -0.702473
C 2.906334 -0.713326 0.413475
C -0.482435 -2.799512 -0.817202
C -2.462331 -2.109374 0.452463
C -0.934184 -4.134721 -0.800148
C -2.910437 -3.447371 0.466464
C 3.887926 -1.128216 1.352352
C 3.305399 -0.341673 -0.898017
C -2.151894 -4.463409 -0.159021
C -4.161075 1.296184 -0.057508
C 5.251419 -1.150989 1.002022
C 4.665781 -0.373308 -1.266327
C 5.618867 -0.771637 -0.306624
H 2.691499 1.982879 0.517888
H -1.734558 3.642456 -1.308637
H 2.354789 4.397469 -0.002128
H 0.187633 5.232860 -0.924736
H 0.454120 -2.549647 -1.330496
H -3.027729 -1.326332 0.968743
H -0.341017 -4.916138 -1.287728
H -3.847610 -3.697427 0.975854
H 3.563881 -1.438939 2.350689
H 2.555212 -0.035578 -1.633474
H -2.501927 -5.501675 -0.143615
H 6.012381 -1.460605 1.723675
H 4.979461 -0.096308 -2.276442
H -6.569279 2.687622 1.310049


