%chk=000063582.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063582

0 1
 Br  -7.462800       3.690000     -0.2572000    
 O   -2.186200       2.484900     -0.3827000    
 N   -1.910400      0.1649000     -7.8400001E-02
 N   -3.851400      -1.190200      0.2455000    
 N    4.532600     -4.2399999E-02 -0.8284000    
 N    4.424900       1.390100      0.8675000    
 C  -0.4756000      0.2864000     -4.8099998E-02
 C   -2.565000      -1.070700      0.1172000    
 C   -4.116300       1.214000     -0.1150000    
 C   -2.649300       1.357200     -0.2286000    
 C    2.291700      0.5199000      1.0300000E-02
 C   -4.651100     -4.7499999E-02  0.1469000    
 C    3.728900      0.6423000      4.0399998E-02
 C   0.1643000      0.5550000       1.154800    
 C   0.2501000      0.1330000      -1.222400    
 C   -1.793000      -2.336700      0.1045000    
 C    1.553900      0.6722000       1.184100    
 C    1.639700      0.2504000      -1.193000    
 C    5.833200      0.2854000     -0.5430000    
 C    5.739400       1.180600      0.5189000    
 C   -4.951100       2.331700     -0.2361000    
 C   -6.037700     -0.1802000      0.2866000    
 C   -1.548100      -2.983600      -1.101900    
 C   -1.318900      -2.865400       1.300300    
 C    7.046600     -0.1124000      -1.105400    
 C   -6.330400       2.185500     -9.5200002E-02
 C   -6.873900      0.9306000      0.1675000    
 C    6.915900       1.721200       1.064900    
 C    8.207500      0.4354000     -0.5497000    
 C    8.145500       1.336100      0.5162000    
 C  -0.8202000      -4.173400      -1.112700    
 C  -0.5911000      -4.055200       1.289300    
 C  -0.3417000      -4.709300      8.2900003E-02
 H  -0.4026000      0.6737000       2.074200    
 H  -0.2499000     -7.1800001E-02  -2.165100    
 H    2.042200      0.8795000       2.133300    
 H    2.182900      0.1395000      -2.128000    
 H    4.236000     -0.6890000      -1.547500    
 H   -4.531600       3.314600     -0.4363000    
 H   -6.476300      -1.155200      0.4859000    
 H   -1.916700      -2.573600      -2.038300    
 H   -1.507900      -2.362700       2.245000    
 H    7.092100     -0.8116000      -1.932600    
 H   -7.946900      0.7981000      0.2803000    
 H    6.878300       2.421600       1.893000    
 H    9.176100      0.1543000     -0.9557000    
 H    9.065200       1.745100      0.9269000    
 H  -0.6258000      -4.682500      -2.052200    
 H  -0.2182000      -4.472100       2.220200    
 H   0.2253000      -5.635600      7.4400000E-02


%chk=000063582-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000063582

0 1
Br -7.485153 3.819109 -0.086909
O -2.102509 2.454330 0.583363
N -1.939048 0.125807 0.207351
N -3.900872 -1.213544 -0.233385
N 4.605951 0.276653 -1.074550
N 4.531421 1.090555 1.056707
C -0.488188 0.245744 0.160617
C -2.596309 -1.119378 0.002732
C -4.132878 1.226501 0.090551
C -2.685227 1.363756 0.331740
C 2.333901 0.489645 0.034069
C -4.682449 -0.053398 -0.228415
C 3.795040 0.624611 0.022676
C 0.218645 0.821896 1.241734
C 0.205072 -0.182714 -0.993411
C -1.830652 -2.399056 0.086005
C 1.617115 0.938325 1.177909
C 1.606612 -0.068214 -1.052351
C 5.937471 0.535182 -0.724440
C 5.868315 1.045996 0.619751
C -4.958461 2.379614 0.137635
C -6.074459 -0.157231 -0.508785
C -2.199702 -3.455083 -0.788964
C -0.819498 -2.627590 1.057411
C 7.156847 0.383190 -1.415583
C -6.323093 2.241646 -0.142943
C -6.893732 0.981202 -0.469630
C 7.055265 1.414945 1.295552
C 8.327801 0.757673 -0.721987
C 8.277899 1.264894 0.611201
C -1.548757 -4.703849 -0.717490
C -0.181675 -3.883214 1.137134
C -0.534519 -4.922075 0.244611
H -0.326558 1.184774 2.116496
H -0.349566 -0.609889 -1.834627
H 2.185953 1.377014 2.002750
H 2.118080 -0.423023 -1.954822
H 4.283169 -0.083843 -1.969574
H -4.502578 3.342911 0.383333
H -6.485265 -1.143150 -0.743846
H -3.007426 -3.281980 -1.506530
H -0.541403 -1.839301 1.762587
H 7.206302 -0.004196 -2.438584
H -7.963549 0.902592 -0.683119
H 7.009918 1.803892 2.317054
H 9.299224 0.657521 -1.218496
H 9.213161 1.542943 1.108885
H -1.835943 -5.506869 -1.404979
H 0.589082 -4.050084 1.897150
H -0.030575 -5.893143 0.303915


