%chk=000099712.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000099712

0 1
 Cl  -1.052900       4.874900      0.1158000    
 S   -3.971900     -0.6810000     -0.3450000    
 N    3.848700      0.5605000      0.9372000    
 N  -0.8905000     -0.2731000     -0.4114000    
 C    2.915400      0.2950000     -0.1819000    
 C    3.336700     -0.9807000     -0.9392000    
 C    1.464600      0.1149000      0.2871000    
 C    4.776800     -0.9021000      -1.429100    
 C    5.234400      0.6951000      0.4541000    
 C    5.705700     -0.5614000     -0.2743000    
 C   0.4978000     -0.1230000     -0.8666000    
 C    3.486400       1.760000       1.698000    
 C   -1.664200      0.9072000     -0.2752000    
 C   -1.330800      -1.579300     -7.8800000E-02
 C   -3.070600      0.8500000     -0.2098000    
 C   -2.704100      -1.882800      6.8000001E-03
 C   -1.068800       2.182700     -0.1635000    
 C  -0.4248000      -2.621600      0.2155000    
 C   -3.832800       2.023200     -6.7500003E-02
 C   -3.135300      -3.178000      0.3446000    
 C   -1.830900       3.345000     -1.7100001E-02
 C  -0.8589000      -3.905700      0.5558000    
 C   -3.214500       3.265400      2.7400000E-02
 C   -2.215700      -4.185100      0.6172000    
 H    2.949300       1.141500     -0.8827000    
 H    2.723600      -1.144300      -1.829400    
 H    3.219600      -1.861600     -0.2946000    
 H    1.143600      0.9913000      0.8526000    
 H    1.422300     -0.7024000       1.015900    
 H    4.860000     -0.1344000      -2.208200    
 H    5.073500      -1.854600      -1.881800    
 H    5.909100      0.8603000       1.303300    
 H    5.330100       1.564300     -0.2102000    
 H    5.743900      -1.403200      0.4286000    
 H    6.724300     -0.4120000     -0.6502000    
 H   0.5785000      0.6919000      -1.599300    
 H   0.7623000      -1.005400      -1.457000    
 H    3.369900       2.638600       1.053500    
 H    4.252900       1.989500       2.447900    
 H    2.565100       1.610400       2.268500    
 H   6.3999998E-03   2.316600     -0.2156000    
 H   0.6504000      -2.484800      0.1767000    
 H   -4.919400       1.980700     -2.8600000E-02
 H   -4.195700      -3.416200      0.3992000    
 H  -0.1325000      -4.684800      0.7684000    
 H   -3.824700       4.157500      0.1396000    
 H   -2.558100      -5.181600      0.8781000    


%chk=000099712-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000099712

0 1
Cl -0.247443 4.640184 -0.170618
S -4.007184 -0.559150 -0.639651
N 3.824434 0.476688 0.944497
N -0.886662 -0.562441 -0.484320
C 2.888771 0.214438 -0.189585
C 3.568712 -0.716848 -1.227658
C 1.557262 -0.404650 0.302146
C 4.915070 -0.154588 -1.727758
C 5.108675 1.067045 0.471801
C 5.832623 0.145120 -0.525172
C 0.546645 -0.625915 -0.864014
C 3.237846 1.320416 2.011981
C -1.493865 0.720124 -0.378168
C -1.517993 -1.745654 0.011610
C -2.911703 0.876989 -0.343354
C -2.935706 -1.864841 0.074418
C -0.700265 1.902022 -0.316213
C -0.749021 -2.858065 0.453079
C -3.501813 2.147443 -0.207292
C -3.553027 -3.023008 0.584876
C -1.320209 3.160454 -0.225653
C -1.367796 -4.036117 0.924334
C -2.712326 3.320786 -0.157203
C -2.773072 -4.125387 1.003134
H 2.645982 1.188488 -0.708383
H 2.886199 -0.875342 -2.083839
H 3.735551 -1.700445 -0.744075
H 1.078704 0.251031 1.049711
H 1.788468 -1.353798 0.820459
H 4.738280 0.780395 -2.298695
H 5.395726 -0.869705 -2.421992
H 5.747063 1.240876 1.357895
H 4.936055 2.064886 -0.014338
H 6.100291 -0.799412 -0.013623
H 6.772344 0.627502 -0.856035
H 0.707738 0.145352 -1.641126
H 0.717355 -1.600465 -1.352665
H 2.824040 2.289003 1.630954
H 4.022920 1.556136 2.751736
H 2.435001 0.787400 2.547122
H 0.388954 1.853566 -0.332189
H 0.341516 -2.806924 0.442746
H -4.592945 2.229096 -0.167015
H -4.646430 -3.067548 0.633668
H -0.742095 -4.876371 1.244042
H -3.169963 4.309271 -0.075481
H -3.258506 -5.030639 1.380707


