%chk=000058273.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000058273

0 1
 Cl   5.589200       1.594100      0.6410000    
 S   0.9292000      -2.083700      -1.447300    
 N   0.6257000      0.1223000      0.7218000    
 N   -1.997500       2.255300     -0.2202000    
 N   -4.059200       1.145800     -0.7670000    
 C   0.3259000       1.384300       1.410500    
 C    1.927200     -3.3300001E-02  0.1810000    
 C  -0.3862000     -0.8708000      0.7091000    
 C   0.3437000       2.554800      0.4284000    
 C    2.196300      -1.015900     -0.7921000    
 C  -0.3463000      -1.936300     -0.2122000    
 C  -0.6348000       2.403800     -0.7339000    
 C    3.015600      0.7560000      0.6128000    
 C   -1.454100     -0.8623000       1.632900    
 C    3.490900      -1.171600      -1.319000    
 C   -1.348200      -2.922900     -0.2153000    
 C    4.301300      0.5937000      8.9599997E-02
 C   -2.444500      -1.848200       1.628600    
 C    4.538600     -0.3692000     -0.8797000    
 C   -2.393200      -2.877900      0.7016000    
 C   -2.734900       1.497700     -0.9580000    
 C   -4.748400      0.2735000      -1.707400    
 C   -4.736200       1.410700      0.4948000    
 H    1.019800       1.555400       2.241900    
 H  -0.6529000       1.431000       1.888400    
 H   8.8600002E-02   3.465300      0.9869000    
 H    1.342500       2.731000      1.7500000E-02
 H  -0.5903000       3.310600      -1.348900    
 H  -0.3225000       1.568900      -1.373400    
 H    2.892000       1.510900       1.384500    
 H   -1.539100     -0.1344000       2.432500    
 H    3.696700      -1.922400      -2.079500    
 H   -1.324400      -3.739800     -0.9339000    
 H   -3.246900      -1.814000       2.359900    
 H    5.530300     -0.5087000      -1.301300    
 H   -3.159900      -3.646400      0.6942000    
 H   -2.340200       1.053400      -1.890000    
 H   -5.831400      0.4318000      -1.678800    
 H   -4.542900     -0.7742000      -1.465800    
 H   -4.419000      0.4649000      -2.734200    
 H   -4.444500       2.384400      0.9020000    
 H   -4.484400      0.6374000       1.226700    
 H   -5.823900       1.425800      0.3694000    


%chk=000058273-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000058273

0 1
Cl 5.541627 1.334058 0.868086
S 0.497295 -1.589956 -1.878739
N 0.425973 0.151508 0.639894
N -1.960631 2.511531 -0.424325
N -3.906190 1.204709 -0.823456
C 0.100760 1.379020 1.412547
C 1.729658 -0.006779 0.093578
C -0.456755 -0.971541 0.698181
C 0.299433 2.680853 0.602358
C 1.948644 -0.843436 -1.038023
C -0.502262 -1.911401 -0.369212
C -0.524618 2.693228 -0.708391
C 2.853705 0.642505 0.674563
C -1.297739 -1.202597 1.821213
C 3.240823 -1.040700 -1.559989
C -1.348443 -3.036259 -0.322810
C 4.126670 0.461207 0.108554
C -2.177314 -2.306391 1.851314
C 4.355271 -0.371680 -1.000944
C -2.208250 -3.230639 0.783285
C -2.556544 1.481957 -0.976205
C -4.476621 -0.051885 -1.314098
C -4.753896 2.060448 0.013120
H 0.669379 1.421042 2.365680
H -0.970123 1.326006 1.665015
H -0.036102 3.515375 1.248105
H 1.363940 2.856113 0.360469
H -0.376704 3.677305 -1.196221
H -0.119544 1.914836 -1.397778
H 2.737351 1.269526 1.560895
H -1.257300 -0.525279 2.679143
H 3.380900 -1.702641 -2.420556
H -1.341788 -3.749019 -1.154481
H -2.822338 -2.453299 2.724543
H 5.357314 -0.496553 -1.418231
H -2.878296 -4.095862 0.812007
H -2.029925 0.747810 -1.620664
H -5.411333 0.136999 -1.877664
H -4.707824 -0.750921 -0.482947
H -3.760214 -0.552515 -1.987583
H -4.186875 2.974948 0.247705
H -5.027173 1.555671 0.963113
H -5.686243 2.323495 -0.522951


