%chk=000001238.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001238

0 1
 Cl   2.344400       4.883100       1.083300    
 S   0.7575000     -0.4866000      -1.802800    
 N   -1.522500      8.0600001E-02  0.3052000    
 N   -4.387800      8.0399998E-02 -7.9800002E-02
 C  -0.3104000      0.3988000       1.057400    
 C   -2.395300     -0.8130000       1.076400    
 C   -2.242100       1.305100     -6.6399999E-02
 C   -3.668800      -1.144500      0.2910000    
 C   -3.515000      0.9725000     -0.8525000    
 C   0.4025000     -0.8575000       1.583800    
 C   0.6436000       1.319700      0.3250000    
 C    1.102300      -1.858900      0.6834000    
 C    1.200400      0.9953000     -0.9233000    
 C   -5.601100     -0.2369000     -0.8304000    
 C    1.314900      -1.780400     -0.7051000    
 C    1.015600       2.531800      0.9350000    
 C    1.613000      -2.989200       1.367800    
 C    2.095300       1.882400      -1.541100    
 C    1.910900       3.404400      0.3170000    
 C    2.003300      -2.827200      -1.356400    
 C    2.450900       3.079300     -0.9215000    
 C    2.296900      -4.010300      0.7110000    
 C    2.491400      -3.929100     -0.6569000    
 H  -0.6341000      0.9338000       1.964400    
 H   -2.660600     -0.3748000       2.047800    
 H   -1.922900      -1.783100       1.257000    
 H   -1.634400       1.948900     -0.7117000    
 H   -2.506500       1.891700      0.8242000    
 H   -3.410600      -1.731500     -0.6012000    
 H   -4.309800      -1.773400      0.9210000    
 H   -4.042000       1.909900      -1.068200    
 H   -3.245800      0.5195000      -1.816600    
 H  -0.2431000      -1.402900       2.283400    
 H    1.209300     -0.4785000       2.234100    
 H   -6.157400      0.6772000      -1.065900    
 H   -6.269400     -0.8662000     -0.2323000    
 H   -5.383700     -0.7596000      -1.769000    
 H   0.6009000       2.794400       1.906600    
 H    1.475500      -3.076700       2.444800    
 H    2.525400       1.652700      -2.513700    
 H    2.172400      -2.796500      -2.432200    
 H    3.147600       3.748200      -1.420000    
 H    2.672900      -4.862100       1.269200    
 H    3.020100      -4.718200      -1.182900    


%chk=000001238-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000001238

0 1
Cl 1.837120 5.522143 1.104384
S 1.332396 -0.233439 -1.766373
N -1.233564 0.084605 0.422797
N -4.068151 -0.247517 -0.150839
C -0.048777 0.562368 1.187198
C -2.090581 -0.819974 1.233734
C -2.052359 1.197349 -0.130022
C -3.258126 -1.361273 0.393378
C -3.215140 0.645349 -0.968613
C 0.870425 -0.618654 1.649548
C 0.771250 1.597262 0.421179
C 1.016937 -1.805626 0.706793
C 1.462059 1.310085 -0.786439
C -5.257785 -0.719774 -0.883715
C 1.243756 -1.728959 -0.692804
C 0.912751 2.889801 0.985440
C 0.961082 -3.104565 1.285593
C 2.250214 2.309541 -1.412461
C 1.693347 3.868573 0.346670
C 1.401215 -2.911517 -1.464176
C 2.367514 3.601275 -0.858229
C 1.120409 -4.283005 0.529903
C 1.340210 -4.182906 -0.862411
H -0.385256 1.073105 2.129588
H -2.503534 -0.285236 2.127672
H -1.488991 -1.675103 1.585327
H -1.413946 1.829347 -0.770615
H -2.469488 1.838366 0.687616
H -2.840883 -2.004930 -0.422893
H -3.904077 -1.993253 1.031803
H -3.831002 1.488310 -1.334867
H -2.793975 0.111077 -1.858487
H 0.492740 -1.002398 2.614678
H 1.865758 -0.185354 1.869360
H -5.857611 0.146774 -1.216028
H -5.886782 -1.335065 -0.215159
H -5.009355 -1.334343 -1.786722
H 0.396495 3.125416 1.921688
H 0.789675 -3.178835 2.367212
H 2.787811 2.071545 -2.336302
H 1.580054 -2.830770 -2.542814
H 2.979034 4.366114 -1.344694
H 1.073298 -5.262140 1.017971
H 1.467533 -5.081171 -1.475972


