%chk=000091046.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000091046

0 1
 Cl  -8.939500       2.330800     -0.5120000    
 S   -2.352000      0.9734000       1.075200    
 N    1.649400      0.2752000       1.180100    
 N    4.392600      0.4025000      0.3943000    
 C    2.680300      0.6809000       2.143000    
 C    2.015400      0.7334000     -0.1659000    
 C    4.040100      7.8800000E-02   1.779900    
 C    3.352200      0.1320000     -0.6059000    
 C   0.3455000      0.8123000       1.567700    
 C    5.729500      0.3401000     -1.4500000E-02
 C  -0.7261000      0.3135000      0.6062000    
 C    6.628500     -0.5680000      0.5798000    
 C    6.217400       1.183900      -1.032400    
 C   -3.334000      0.2032000     -0.2319000    
 C    7.961100     -0.6299000      0.1725000    
 C    7.550000       1.122000      -1.439700    
 C   -4.753500      0.7409000     -0.3028000    
 C   -3.270200      -1.315100     -0.2138000    
 C    8.421900      0.2151000     -0.8373000    
 C   -5.420300       1.027500      0.8723000    
 C   -5.336900      0.9291000      -1.540300    
 C   -2.624000      -1.970000      -1.243800    
 C   -3.859700      -1.997500      0.8322000    
 C    9.846400      0.1481000      -1.273400    
 C   -6.722900       1.522100      0.8072000    
 C   -6.639600       1.423700      -1.605400    
 C   -2.565100      -3.363500      -1.227300    
 C   -3.800700      -3.391000      0.8486000    
 C   -7.332700       1.720200     -0.4317000    
 C   -3.153300      -4.073900     -0.1811000    
 H    2.412100      0.3368000       3.149300    
 H    2.763500       1.775500       2.183700    
 H    2.072000       1.829600     -0.2050000    
 H    1.301900      0.4096000     -0.9273000    
 H    4.787400      0.4825000       2.474300    
 H    4.007900      -1.010400       1.911700    
 H    3.254100     -0.9534000     -0.7389000    
 H    3.612400      0.5551000      -1.583200    
 H   0.3660000       1.910500       1.587300    
 H   0.1019000      0.4696000       2.581900    
 H  -0.5671000      0.6568000     -0.4168000    
 H  -0.7429000     -0.7801000      0.6241000    
 H   -2.847100      0.5546000      -1.152400    
 H    6.302500      -1.250900       1.360300    
 H    5.559000       1.907500      -1.508100    
 H    8.629900      -1.343900      0.6459000    
 H    7.897300       1.786100      -2.226700    
 H   -4.992800      0.8660000       1.856200    
 H   -4.807100      0.6992000      -2.459900    
 H   -2.161400      -1.428500      -2.063400    
 H   -4.358900      -1.491100       1.651100    
 H    9.956300     -0.5748000      -2.087900    
 H    10.19960       1.124900      -1.621000    
 H    10.49900     -0.1525000     -0.4468000    
 H   -7.253100       1.744000       1.729900    
 H   -7.102200       1.572600      -2.577700    
 H   -2.060600      -3.895300      -2.028600    
 H   -4.256300      -3.944500       1.664500    
 H   -3.106700      -5.159000     -0.1677000    


%chk=000091046-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000091046

0 1
Cl -9.410605 2.138385 0.070849
S -2.426759 1.172628 0.722080
N 1.674097 0.515598 0.741956
N 4.534793 0.498399 0.267746
C 2.635109 0.424361 1.867038
C 2.268616 1.322057 -0.351670
C 3.953679 -0.228080 1.412637
C 3.571000 0.671292 -0.844444
C 0.328921 0.983830 1.155669
C 5.916651 0.335288 -0.024365
C -0.753603 0.455432 0.196100
C 6.743808 -0.560064 0.715508
C 6.545290 1.103861 -1.051615
C -3.581137 0.175661 -0.462499
C 8.126996 -0.662312 0.447581
C 7.921766 0.980101 -1.312861
C -5.005206 0.698656 -0.295502
C -3.440341 -1.328866 -0.254049
C 8.750617 0.097766 -0.569336
C -5.529398 1.115582 0.954342
C -5.855131 0.734084 -1.430677
C -2.749228 -2.105344 -1.218977
C -3.978460 -1.980173 0.886517
C 10.238038 -0.015519 -0.857438
C -6.866072 1.556236 1.074404
C -7.195703 1.166462 -1.330471
C -2.598423 -3.501705 -1.053687
C -3.827652 -3.372450 1.054695
C -7.681129 1.570976 -0.072524
C -3.137588 -4.139969 0.085171
H 2.190138 -0.194852 2.667589
H 2.864715 1.433459 2.294515
H 2.485775 2.366617 -0.011165
H 1.557064 1.378009 -1.195000
H 4.661141 -0.192585 2.259272
H 3.762467 -1.298028 1.161703
H 3.325130 -0.316166 -1.299159
H 4.012623 1.304148 -1.629595
H 0.275155 2.099250 1.218886
H 0.121159 0.592689 2.168750
H -0.560959 0.765867 -0.845722
H -0.804120 -0.643547 0.247603
H -3.228042 0.424860 -1.479421
H 6.314314 -1.200183 1.491506
H 5.963354 1.826519 -1.632908
H 8.728964 -1.363388 1.039612
H 8.366920 1.594636 -2.106214
H -4.884908 1.118995 1.840409
H -5.471717 0.415544 -2.407131
H -2.330249 -1.614821 -2.106981
H -4.516759 -1.396660 1.640617
H 10.428512 -0.303466 -1.908957
H 10.760109 0.945546 -0.685349
H 10.715406 -0.773382 -0.211975
H -7.261745 1.883995 2.040080
H -7.844417 1.191450 -2.210693
H -2.062288 -4.085933 -1.809946
H -4.250233 -3.862704 1.939060
H -3.024056 -5.221740 0.217035


