%chk=000152244.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000152244

0 1
 Br   4.372900       1.567200       2.738100    
 Cl   1.347000       1.991200       1.317400    
 O   -1.710600      -1.004900     -0.8708000    
 O  -0.2525000      0.8472000      -1.098000    
 O   -4.119200       2.117500      0.3613000    
 O   -2.376400       2.420000      -1.963800    
 O   -2.969600      0.3011000       2.318500    
 O   -2.256000      -2.360200       2.334300    
 O   -2.269500      -3.191800      0.2048000    
 N    2.296900      -1.337000      -2.112300    
 C   -2.891100       1.411000      0.1810000    
 C   -2.645100       1.184300      -1.310100    
 C   -3.006400      7.0799999E-02  0.9107000    
 C   -1.466200      0.2368000      -1.533000    
 C   -1.859400     -0.8649000      0.5405000    
 C   -2.149100      -2.261400      0.9874000    
 C   0.8925000      0.1143000      -1.253200    
 C    2.056900      0.1486000     -0.4653000    
 C    2.935700     -0.7797000      -1.027500    
 C    1.048100     -0.7942000      -2.254900    
 C    2.469100      0.8696000      0.6730000    
 C    4.211300      -1.024100     -0.5063000    
 C    3.742300      0.6357000       1.205300    
 C    4.598300     -0.2971000      0.6231000    
 H   -2.104300       2.040700      0.6133000    
 H   -3.549700      0.7603000      -1.764300    
 H   -3.976400     -0.3901000      0.6863000    
 H   -1.408900      5.2200001E-02  -2.612700    
 H  -0.9059000     -0.5668000      0.9914000    
 H   -4.254100       2.226700       1.318200    
 H   -3.124300       3.014100      -1.781200    
 H   -2.118300      0.7195000       2.532800    
 H   0.4166000      -1.121300      -3.068600    
 H    2.694100      -2.043200      -2.716500    
 H    4.878200      -1.750200     -0.9590000    
 H   -2.445600      -3.279100       2.620600    
 H    5.587900     -0.4784000       1.037500    


%chk=000152244-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000152244

0 1
Br 4.056708 1.426797 3.016732
Cl 1.015314 1.661616 1.616050
O -1.938551 -1.140599 -0.858184
O -0.343924 0.653406 -1.073241
O -3.861757 2.438096 0.271028
O -2.399622 2.303495 -2.186540
O -2.973961 0.520299 2.406307
O -1.513243 -2.838067 1.972172
O -3.625872 -2.760097 1.000271
N 2.521147 -1.240208 -2.278197
C -2.754207 1.484519 0.135813
C -2.682881 1.141769 -1.359169
C -3.019161 0.213784 0.965058
C -1.589422 0.087076 -1.577956
C -2.021648 -0.920183 0.612098
C -2.503863 -2.250983 1.183730
C 0.849807 -0.028782 -1.335144
C 2.010857 0.072345 -0.475707
C 3.052883 -0.701256 -1.108653
C 1.185509 -0.835386 -2.422611
C 2.304882 0.705058 0.761255
C 4.344137 -0.829857 -0.553294
C 3.589175 0.580228 1.318877
C 4.603227 -0.179120 0.663787
H -1.798588 1.952300 0.450310
H -3.649279 0.678374 -1.653872
H -4.053111 -0.130885 0.793273
H -1.513793 -0.219684 -2.634644
H -1.015354 -0.684281 1.006205
H -4.009923 2.610195 1.235930
H -3.008112 3.028551 -1.888383
H -2.039694 0.751403 2.655864
H 0.586476 -1.157030 -3.270104
H 3.018422 -1.847492 -2.925035
H 5.127326 -1.415324 -1.044609
H -1.851466 -3.695110 2.351476
H 5.590764 -0.250568 1.127108


