%chk=000060311.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060311

0 1
 Br   8.979200      0.8295000       1.006500    
 Cl  -7.172700       4.690100      0.3539000    
 O   0.1795000     -0.6496000      0.5957000    
 O    4.995100       2.386700       2.148300    
 O    7.177300       2.222100       2.320800    
 N   -2.209700      -1.410100     -0.5822000    
 N   -2.930100      0.8642000     -0.9742000    
 N   -5.087400      0.1052000      0.7273000    
 N    1.354100     -0.9696000      -1.379200    
 N    2.527900     -0.6065000     -0.8197000    
 N    6.092300       1.907500       1.778200    
 C   -2.675100      -2.493700      0.1335000    
 C   -3.862600      -2.102900      0.7626000    
 C   -3.059900     -0.3525000     -0.4270000    
 C   -4.091800     -0.7494000      0.3994000    
 C   -1.002200      -1.392000      -1.380500    
 C   -2.139000      -3.779300      0.2702000    
 C   -4.545500      -3.039100       1.564300    
 C   -3.918600       1.708900     -0.6474000    
 C   -4.989700       1.332600      0.1973000    
 C   -2.834400      -4.689800       1.070700    
 C   -4.019100      -4.327700       1.708500    
 C   0.2157000     -0.9631000     -0.5916000    
 C   -3.888800       3.002700      -1.158900    
 C   -5.977300       2.268300      0.4894000    
 C   -4.885300       3.929300     -0.8581000    
 C   -5.933900       3.560800     -3.0099999E-02
 C    3.595200     -0.6369000      -1.562000    
 C    4.893000     -0.2714000     -0.9293000    
 C    4.891500      0.6320000      0.1110000    
 C    6.048400     -0.8509000      -1.405400    
 C    3.610700      -1.020700      -3.028700    
 C    6.106700      0.9730000      0.7049000    
 C    7.263600     -0.5100000     -0.8115000    
 C    7.292900      0.4020000      0.2435000    
 H   -1.154500     -0.7000000      -2.216600    
 H  -0.8430000      -2.389100      -1.803300    
 H   -1.215400      -4.072300     -0.2175000    
 H   -5.469900      -2.770800       2.067700    
 H   -2.443200      -5.696000       1.197700    
 H   -4.541600      -5.053500       2.326000    
 H   -3.072400       3.309300      -1.810500    
 H   -6.802800       1.981000       1.139800    
 H   -4.825900       4.930100      -1.277300    
 H    1.334500      -1.268400      -2.347000    
 H    3.957000       1.072800      0.4470000    
 H    6.055600      -1.587300      -2.202100    
 H    3.471600      -2.101300      -3.123400    
 H    4.535500     -0.7291000      -3.531500    
 H    2.806300     -0.5017000      -3.559100    
 H    8.176600     -0.9705000      -1.180600    


%chk=000060311-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000060311

0 1
Br 8.446217 1.635792 0.036240
Cl -4.593440 5.219083 -1.738746
O 1.188859 -3.643243 -0.310414
O 6.186326 -1.787122 1.743385
O 7.999259 -1.396274 0.411794
N -2.016188 -2.325868 -0.252489
N -1.952130 -0.205677 -1.439057
N -4.078812 0.530658 0.454522
N 0.778259 -1.443038 -1.074938
N 2.079311 -1.037517 -0.849723
N 6.794215 -1.157397 0.795525
C -2.724328 -2.825051 0.878805
C -3.645252 -1.823673 1.341766
C -2.435709 -1.025584 -0.493273
C -3.479498 -0.669255 0.472460
C -1.066272 -3.057293 -1.100099
C -2.610801 -4.075534 1.511600
C -4.476176 -2.085732 2.452522
C -2.580993 1.040997 -1.486530
C -3.638681 1.398221 -0.546247
C -3.453109 -4.318118 2.622097
C -4.375931 -3.341639 3.087959
C 0.419899 -2.766596 -0.773293
C -2.182767 1.990601 -2.474834
C -4.247962 2.687847 -0.633960
C -2.793627 3.245456 -2.548229
C -3.822191 3.575677 -1.617485
C 2.416585 0.216942 -1.109011
C 3.845332 0.545878 -0.852174
C 4.666747 -0.379259 -0.154111
C 4.438896 1.762061 -1.286122
C 1.446981 1.259719 -1.637761
C 6.024576 -0.102446 0.080933
C 5.795290 2.046520 -1.026878
C 6.610070 1.119193 -0.344748
H -1.275880 -2.792022 -2.153485
H -1.220817 -4.138735 -0.971089
H -1.887830 -4.828625 1.184377
H -5.177082 -1.323118 2.805427
H -3.383720 -5.280597 3.140439
H -5.007267 -3.567936 3.952945
H -1.402331 1.706171 -3.187395
H -5.036319 2.937381 0.080434
H -2.496540 3.970977 -3.310652
H 0.031853 -0.812387 -1.441239
H 4.235481 -1.321177 0.196481
H 3.856318 2.503792 -1.840096
H 1.192425 1.066138 -2.698811
H 1.850726 2.279601 -1.567253
H 0.500398 1.248176 -1.066073
H 6.226033 2.996935 -1.353998


