%chk=000127880.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127880

0 1
 Cl   1.197500      -2.087900       3.970700    
 S    1.799900      0.7663000      -2.173000    
 N  -9.7999997E-02  0.7505000     -0.1284000    
 N   -2.322900      -1.023800     -0.7020000    
 N   -3.106300     -0.4593000      -2.686900    
 N    4.987700      -1.072600     -0.4989000    
 N   -4.119700      -1.057300      -1.988500    
 C  -0.3779000     -0.4006000      0.6777000    
 C   -1.485400      -1.236300      0.4261000    
 C   0.1894000      0.4797000      -1.477500    
 C   -2.023800     -0.4405000      -1.929500    
 C  -0.7078000     -7.8299999E-02  -2.315900    
 C  -0.1809000       2.106700      0.3691000    
 C   -3.636800      -1.412000     -0.8232000    
 C   0.4551000     -0.6935000       1.776900    
 C   -1.781800      -2.286000       1.310600    
 C    2.751100     -0.2560000      -1.041100    
 C    4.225700     -0.2392000      -1.424100    
 C   0.1682000      -1.755200       2.632600    
 C  -0.9549000      -2.542600       2.405300    
 C  -0.5485000       2.345400       1.694900    
 C   0.1062000       3.181100     -0.4754000    
 C   -4.496100      -1.966000      0.2457000    
 C  -0.6289000       3.652800       2.174100    
 C   2.5800001E-02   4.488500      3.8999999E-03
 C    6.412400      -1.038800     -0.8314000    
 C    4.492500      -2.449400     -0.5206000    
 C  -0.3418000       4.724300       1.328800    
 H  -0.4595000     -0.2466000      -3.361500    
 H    1.325400     -6.9499999E-02   1.972700    
 H   -2.558700      -3.017300       1.139700    
 H    2.640700      0.1246000     -2.1600001E-02
 H    2.319100      -1.258400      -1.096000    
 H    4.358000     -0.5845000      -2.458800    
 H    4.599700      0.7918000      -1.371300    
 H   -1.184100      -3.383400       3.055600    
 H  -0.8079000       1.551200       2.386700    
 H   0.3603000       3.066500      -1.522300    
 H   -5.544100      -1.730300      2.1700000E-02
 H   -4.436800      -3.057200      0.2841000    
 H   -4.300500      -1.525500       1.227100    
 H  -0.9214000       3.837500       3.203700    
 H   0.2405000       5.324000     -0.6560000    
 H    6.992500      -1.615400     -0.1022000    
 H    6.614000      -1.442500      -1.830400    
 H    6.793400     -1.2300000E-02 -0.7905000    
 H    3.530600      -2.546800     -7.8999996E-03
 H    4.407300      -2.850800      -1.537000    
 H    5.171100      -3.106700      3.7200000E-02
 H  -0.4077000       5.742500       1.700900    


%chk=000127880-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000127880

0 1
Cl 0.916968 -3.149838 3.611652
S 1.638084 -0.020882 -2.496601
N -0.172592 0.169787 -0.321897
N -2.812289 -0.889962 -0.602071
N -3.549839 -0.429897 -2.696860
N 5.168215 -0.493346 -0.365515
N -4.667250 -0.484561 -1.820282
C -0.625567 -0.886702 0.548505
C -1.948765 -1.395641 0.419388
C -0.016615 -0.180564 -1.696460
C -2.439990 -0.647041 -1.950421
C -1.075425 -0.624291 -2.445555
C 0.038254 1.504245 0.160861
C -4.217804 -0.770848 -0.579211
C 0.249354 -1.438585 1.514106
C -2.372291 -2.454378 1.261940
C 2.785478 -0.385402 -1.023673
C 4.238860 -0.121862 -1.458008
C -0.209667 -2.462619 2.358352
C -1.515099 -2.981245 2.247547
C 0.017257 1.795506 1.553125
C 0.234863 2.567560 -0.763415
C -5.097006 -0.853837 0.629777
C 0.207080 3.119476 2.002758
C 0.431884 3.883316 -0.296861
C 6.404121 0.316587 -0.347485
C 5.455207 -1.942015 -0.310416
C 0.424475 4.173195 1.086945
H -0.926494 -0.927861 -3.485093
H 1.270952 -1.057332 1.593771
H -3.368928 -2.884493 1.136685
H 2.513586 0.287119 -0.196218
H 2.625576 -1.434895 -0.728199
H 4.464960 -0.666319 -2.409064
H 4.354049 0.957106 -1.667838
H -1.849471 -3.792993 2.898986
H -0.161298 1.003907 2.285825
H 0.218442 2.368953 -1.837829
H -6.021086 -0.295484 0.412252
H -5.390161 -1.891395 0.875375
H -4.613807 -0.414826 1.519760
H 0.183305 3.323412 3.079245
H 0.578702 4.688568 -1.025390
H 6.995378 0.063720 0.551004
H 7.056040 0.155906 -1.242729
H 6.148483 1.389259 -0.294076
H 4.516755 -2.520650 -0.261277
H 6.037907 -2.305355 -1.194559
H 6.036239 -2.169651 0.600794
H 0.572870 5.198049 1.442248


