%chk=000068810.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000068810

0 1
 Cl   4.747700       1.957100      -1.344100    
 S   0.3930000      -1.143400       2.009100    
 N   -2.634400      0.6978000      0.1022000    
 N   0.1987000     -0.4228000     -0.9632000    
 N  -0.9302000       2.180000      0.4272000    
 C   -1.414300       1.189100     -0.2807000    
 C  -0.6659000      0.6476000      -1.445500    
 C   -3.452200     -0.2707000     -0.5791000    
 C   -3.166800       1.521000       1.156700    
 C   0.2841000      -1.627900      -1.788600    
 C   -1.954800       2.400300       1.490500    
 C   0.8809000      -2.839900      -1.066000    
 C    1.382800     -1.9999999E-04 -0.3458000    
 C   0.1080000      -3.284400      0.1821000    
 C   -4.371200      0.4480000      -1.557800    
 C   -4.247800      -1.073300      0.4421000    
 C   0.7393000      -2.862500       1.511900    
 C    1.613200     -0.2850000       1.016100    
 C    2.372400      0.6970000      -1.062100    
 C    2.799200      0.1371000       1.633400    
 C    3.553100       1.107200     -0.4423000    
 C    3.765300      0.8281000      0.9040000    
 H  -0.1029000       1.455700      -1.927800    
 H   -1.368300      0.2831000      -2.201200    
 H   -2.827100     -0.9816000      -1.129000    
 H   -3.477300      0.9531000       2.038900    
 H   -4.001600       2.138300      0.8095000    
 H   0.8746000      -1.418200      -2.689800    
 H  -0.7207000      -1.901600      -2.134000    
 H   -2.233600       3.458200       1.528400    
 H   -1.524600       2.123200       2.459300    
 H    1.939800      -2.678300     -0.8332000    
 H   0.8626000      -3.671000      -1.783800    
 H  -0.9466000      -2.988000      0.1289000    
 H   0.1088000      -4.383000      0.1780000    
 H   -3.797500       1.044300      -2.275500    
 H   -5.067100       1.123600      -1.048800    
 H   -4.967500     -0.2748000      -2.125000    
 H   -4.998700     -0.4663000      0.9595000    
 H   -4.782800      -1.891100     -5.3599998E-02
 H   -3.588900      -1.517300       1.196800    
 H   0.3120000      -3.489800       2.302400    
 H    1.819000      -3.047700       1.517900    
 H    2.219500      0.9114000      -2.118500    
 H    2.984300     -6.7699999E-02   2.685300    
 H    4.679200       1.143400       1.401100    


%chk=000068810-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000068810

0 1
Cl 3.685342 2.830062 0.275493
S -0.018744 -2.298177 1.606219
N -2.301121 1.099026 0.181573
N -0.028427 -0.651356 -1.117095
N -1.070740 2.728874 -0.919619
C -1.399265 1.449478 -0.830549
C -0.809202 0.435816 -1.782262
C -3.064864 -0.170193 0.235156
C -2.800819 2.361108 0.798416
C 0.505511 -1.581431 -2.161057
C -1.823587 3.423619 0.183270
C 1.216740 -2.845298 -1.647883
C 0.939175 -0.220411 -0.136152
C 0.322068 -3.828493 -0.844944
C -4.308477 -0.138709 -0.695682
C -3.462261 -0.504983 1.687669
C 0.590619 -3.835607 0.667513
C 1.125122 -0.952221 1.075131
C 1.729194 0.942478 -0.361611
C 2.109068 -0.538043 2.005135
C 2.684035 1.332148 0.590797
C 2.904472 0.606762 1.775535
H -0.208891 1.014905 -2.518679
H -1.618342 -0.066417 -2.348659
H -2.364057 -0.954487 -0.108895
H -2.746132 2.318263 1.899924
H -3.856590 2.548779 0.509528
H 1.211536 -1.030201 -2.832955
H -0.357993 -1.887211 -2.785399
H -2.350823 4.307315 -0.216172
H -1.092474 3.779888 0.933658
H 2.102270 -2.561839 -1.047064
H 1.613042 -3.355497 -2.547672
H -0.745578 -3.599438 -1.023897
H 0.492373 -4.862131 -1.211521
H -4.024282 0.096626 -1.737825
H -5.040972 0.619691 -0.361348
H -4.816271 -1.120675 -0.690675
H -4.168157 0.241443 2.098120
H -3.956557 -1.492383 1.724134
H -2.568623 -0.545777 2.333268
H 0.040198 -4.652934 1.168347
H 1.665938 -3.953575 0.888058
H 1.575616 1.547776 -1.258581
H 2.231614 -1.107240 2.931739
H 3.654013 0.928771 2.503411


