%chk=000039423.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039423

0 1
 Cl  -6.398100       2.665900     -0.1718000    
 S   -3.212700      -1.714400     -0.4060000    
 N    1.164800      4.8000000E-02  0.6178000    
 N    4.668600       1.160400     -2.6100000E-02
 N   0.2188000       1.011100      0.6283000    
 C  -0.6635000      -1.018800      0.1331000    
 C   0.6921000      -1.201800      0.3246000    
 C    2.535200      0.4048000      0.9034000    
 C    3.301000      0.7835000     -0.3611000    
 C  -0.9090000      0.3539000      0.3294000    
 C   -1.500800      -2.085700     -0.1885000    
 C   -2.242800      0.9224000      0.2083000    
 C  -0.9240000      -3.352500     -0.3118000    
 C    1.297000      -2.452600      0.2086000    
 C   -3.333400      7.5099997E-02 -0.1170000    
 C    5.413200       1.526000      -1.232700    
 C    5.346900      7.0200004E-02  0.6775000    
 C   0.4532000      -3.527200     -0.1153000    
 C   -2.459200       2.292400      0.4085000    
 C   -1.750500      -4.551400     -0.6506000    
 C   -4.615900      0.6338000     -0.2313000    
 C    4.726800       2.656900      -1.979800    
 C    6.751900      0.4741000       1.091200    
 C   -3.742400       2.826000      0.2900000    
 C   -4.816900       1.999900     -2.8700000E-02
 H    2.517800       1.235400       1.620100    
 H    2.945000     -0.4656000       1.421900    
 H    3.277800     -4.6900000E-02  -1.079700    
 H    2.757400       1.619000     -0.8158000    
 H    2.360800      -2.598600      0.3558000    
 H    6.407100       1.904100     -0.9726000    
 H    5.548900      0.6698000      -1.905500    
 H    4.854200     -0.1633000       1.624400    
 H    5.380900     -0.8496000      8.0399998E-02
 H   0.8991000      -4.515400     -0.2122000    
 H   -1.640100       2.962300      0.6583000    
 H   -1.143400      -5.461400     -0.7108000    
 H   -2.512500      -4.722700      0.1168000    
 H   -2.234600      -4.422600      -1.624200    
 H   -5.467200      2.0000001E-03 -0.4798000    
 H    5.411000       3.066100      -2.732000    
 H    4.451100       3.479300      -1.310700    
 H    3.836600       2.322100      -2.521300    
 H    7.148400     -0.2554000       1.806700    
 H    6.765600       1.452800       1.583200    
 H    7.448300      0.4899000      0.2473000    
 H   -3.888500       3.891400      0.4497000    


%chk=000039423-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000039423

0 1
Cl -6.416968 2.653203 -1.031818
S -3.323470 -1.840705 -0.319556
N 1.215225 -0.019900 0.616341
N 4.761278 1.025119 -0.252604
N 0.242891 0.970850 0.386310
C -0.693616 -1.125627 0.218347
C 0.688041 -1.308746 0.510642
C 2.607897 0.384679 0.823981
C 3.335696 0.720639 -0.504422
C -0.916180 0.286369 0.151699
C -1.569570 -2.211663 0.051260
C -2.225384 0.865926 -0.127153
C -1.075158 -3.527964 0.173639
C 1.222655 -2.615251 0.641501
C -3.350769 0.011531 -0.351542
C 5.288096 2.158381 -1.058350
C 5.627146 -0.183798 -0.282138
C 0.321469 -3.686156 0.468336
C -2.423601 2.272120 -0.185852
C -1.979550 -4.732954 0.002151
C -4.625815 0.560508 -0.626628
C 4.779108 3.526785 -0.566980
C 6.888993 -0.047220 0.591357
C -3.685199 2.831182 -0.457939
C -4.769862 1.957134 -0.675362
H 2.624956 1.271422 1.477905
H 3.129240 -0.434940 1.349845
H 3.201999 -0.124178 -1.221688
H 2.837060 1.598512 -0.950944
H 2.277083 -2.802348 0.864050
H 6.390078 2.143314 -0.976788
H 5.049500 2.033199 -2.144618
H 5.028968 -1.034989 0.096606
H 5.918352 -0.450195 -1.329764
H 0.701565 -4.710641 0.562328
H -1.558870 2.919652 -0.010718
H -1.419320 -5.674799 0.125537
H -2.803068 -4.730094 0.742526
H -2.449499 -4.747732 -1.000487
H -5.489054 -0.088819 -0.799599
H 5.204980 4.341383 -1.182151
H 5.072698 3.685622 0.485187
H 3.678179 3.602946 -0.628339
H 7.482410 -0.980238 0.562263
H 6.606156 0.162684 1.637570
H 7.542844 0.774040 0.246322
H -3.825611 3.914457 -0.500264


