%chk=000178395.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000178395

0 1
 Cl  -4.906800      -1.987600      -1.609900    
 O  -0.2693000      -2.995800      0.4835000    
 N    2.916500      -1.235800     -0.1070000    
 N   4.0600002E-02   2.464400     -0.3071000    
 N   -2.189300     -4.6599999E-02   2.210400    
 C    2.308700       1.627700      7.6600000E-02
 C    2.390300      0.8671000      -1.252800    
 C    1.400200       2.861800     -6.0000001E-03
 C    3.352600     -0.3158000      -1.151100    
 C    1.555000      -1.705500     -0.3698000    
 C    1.879000       3.819700      -1.092100    
 C    3.834500      -2.371600     -4.6000001E-03
 C  -0.7079000       1.626500      0.4999000    
 C    1.058300      -2.577500      0.7722000    
 C    5.242200      -1.910900      0.3332000    
 C   -1.711800      0.7631000     -8.6000003E-03
 C  -0.4750000       1.621500       1.883100    
 C   -2.429800     -5.8300000E-02  0.8856000    
 C   -1.989000      0.7252000      -1.385600    
 C   -1.228600      0.7826000       2.678700    
 C   -3.409900     -0.8967000      0.3615000    
 C   -2.974700     -0.1228000      -1.882500    
 C   -3.685800     -0.9346000      -1.007600    
 H    1.976600      0.9667000      0.8828000    
 H    3.317500       1.958000      0.3580000    
 H    1.408300      0.5854000      -1.642400    
 H    2.814100       1.527800      -2.019200    
 H    1.442800       3.407000      0.9440000    
 H    3.416100     -0.8147000      -2.126900    
 H    4.341500      0.1012000     -0.9325000    
 H  -0.2911000       2.647900      -1.245400    
 H    1.491000      -2.253200      -1.319700    
 H   0.8300000     -0.8924000     -0.4392000    
 H    1.725700       3.429300      -2.103700    
 H    1.316900       4.759400      -1.036000    
 H    2.939500       4.062000     -0.9675000    
 H    3.849600      -2.972000     -0.9228000    
 H    3.556400      -3.034000      0.8189000    
 H    1.630300      -3.496100      0.9145000    
 H    1.041400      -2.025400       1.717500    
 H    5.749300      -1.453400     -0.5217000    
 H    5.248500      -1.204700       1.170800    
 H    5.849800      -2.773500      0.6297000    
 H   0.2615000       2.260900       2.356600    
 H   -1.454600       1.332100      -2.109700    
 H   -1.080300      0.7528000       3.753200    
 H   -3.972900      -1.537800       1.038800    
 H   -3.174300     -0.1410000      -2.950600    
 H  -0.2454000      -3.503600     -0.3455000    


%chk=000178395-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000178395

0 1
Cl -5.953142 -1.281606 -0.530309
O -0.105637 -3.246006 -1.318356
N 3.116042 -1.389354 -0.510191
N 0.152829 2.033185 -0.413702
N -2.082254 0.041061 2.662903
C 2.632348 1.656926 -0.168473
C 2.914837 0.921178 -1.495575
C 1.465952 2.687255 -0.222420
C 3.804348 -0.328213 -1.286426
C 2.139479 -2.169121 -1.306943
C 1.656631 3.751614 -1.322953
C 4.022403 -2.238755 0.306016
C -0.558030 1.374452 0.573940
C 0.859972 -2.488217 -0.504131
C 4.540452 -1.529864 1.572090
C -1.839246 0.747275 0.270430
C -0.097384 1.286290 1.909312
C -2.552403 0.101786 1.354822
C -2.425155 0.736152 -1.034199
C -0.887018 0.627060 2.888898
C -3.817966 -0.517413 1.092194
C -3.659860 0.127117 -1.278846
C -4.340722 -0.492901 -0.194972
H 2.403064 0.889179 0.594452
H 3.547332 2.188399 0.166621
H 1.955775 0.607072 -1.955218
H 3.414667 1.592468 -2.222437
H 1.434757 3.213437 0.754184
H 4.152973 -0.707123 -2.279151
H 4.711607 -0.026390 -0.729381
H -0.242667 2.073200 -1.351911
H 2.585466 -3.122299 -1.690827
H 1.839129 -1.588339 -2.197919
H 1.624515 3.300103 -2.332642
H 0.871876 4.526689 -1.263505
H 2.638023 4.244332 -1.210897
H 4.887877 -2.611316 -0.298932
H 3.450780 -3.133808 0.615328
H 1.106104 -3.029984 0.433638
H 0.339087 -1.556353 -0.235324
H 5.137043 -0.631983 1.327717
H 3.692112 -1.214059 2.204367
H 5.186134 -2.210144 2.158328
H 0.858490 1.719468 2.211639
H -1.917292 1.199776 -1.888587
H -0.518725 0.574911 3.921323
H -4.332905 -0.996269 1.928543
H -4.096139 0.117240 -2.281228
H 0.272643 -4.139308 -1.519292


