%chk=000063282.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063282

0 1
 Br  -7.072700      0.1385000      -1.323200    
 S    2.944600      -1.535400      -1.211500    
 O  -0.2247000      -3.502700     -0.2666000    
 O   -2.445500      -2.068300      0.5375000    
 N   0.9433000      -1.602100      0.4441000    
 N  -0.9898000     -0.3314000       1.084100    
 N   -1.639500       1.937100      0.7919000    
 N    2.498900      0.1786000      0.7576000    
 C   6.2199999E-02  -1.240100       1.512500    
 C   0.7149000      -2.719300     -0.3716000    
 C    2.081900     -0.8736000      0.1425000    
 C   -2.192300     -0.8702000      0.6187000    
 C    1.767000      -2.883600      -1.437900    
 C   -3.200800      0.1323000      0.2046000    
 C   -2.881800       1.492900      0.3088000    
 C  -0.7839000       1.034800       1.143800    
 C   -4.447300     -0.2768000     -0.2809000    
 C   -3.834400       2.440300     -8.2500003E-02
 C   -5.384900      0.6802000     -0.6662000    
 C   -5.079600       2.036500     -0.5674000    
 C    3.687400      0.7457000      0.2642000    
 C    3.627300       1.717800     -0.7288000    
 C    4.913100      0.3295000      0.7731000    
 C    4.806100       2.280200      -1.218300    
 C    6.092000      0.8918000      0.2836000    
 C    6.038500       1.867300     -0.7121000    
 H  -0.3913000      -2.147900       1.925900    
 H   0.6388000     -0.7581000       2.310200    
 H    2.267000      -3.847300      -1.314900    
 H    1.302100      -2.818100      -2.424700    
 H   0.1983000       1.334700       1.536500    
 H   -4.688600      -1.333900     -0.3592000    
 H   -3.611300       3.502300     -1.1500000E-02
 H   -5.800400       2.794200     -0.8641000    
 H    2.671400       2.047600      -1.127100    
 H    4.964500     -0.4278000       1.550800    
 H    4.764400       3.040000      -1.993200    
 H    7.051500      0.5706000      0.6781000    
 H    6.956500       2.305300      -1.093200    


%chk=000063282-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000063282

0 1
Br -6.228076 1.363848 -1.936098
S 2.662174 -2.197102 -1.710712
O 0.024607 -4.414565 0.313220
O -2.084341 -1.991138 -0.147575
N 0.932486 -2.241630 0.357341
N -0.727474 -0.646426 1.212212
N -1.149932 1.699792 1.591955
N 2.274921 -0.307667 0.412770
C 0.132101 -1.810420 1.512617
C 0.756421 -3.532420 -0.190328
C 1.940408 -1.406408 -0.174339
C -1.859473 -0.854035 0.358298
C 1.583828 -3.726340 -1.457401
C -2.680655 0.356885 0.160158
C -2.300862 1.589773 0.784154
C -0.430190 0.610033 1.760541
C -3.844532 0.284154 -0.648409
C -3.106476 2.743187 0.579871
C -4.615221 1.439511 -0.825459
C -4.258751 2.674117 -0.218938
C 3.214658 0.652956 -0.040879
C 3.350573 1.025888 -1.407814
C 4.003158 1.309820 0.941831
C 4.279495 2.021927 -1.777060
C 4.936976 2.294737 0.561392
C 5.082009 2.655064 -0.799794
H -0.496935 -2.677380 1.779922
H 0.799620 -1.528157 2.342457
H 2.219178 -4.619171 -1.358718
H 0.909175 -3.844444 -2.319950
H 0.485047 0.655889 2.357180
H -4.106253 -0.672856 -1.108787
H -2.804026 3.678375 1.059281
H -4.878509 3.561525 -0.375255
H 2.713126 0.563652 -2.169781
H 3.874566 1.029383 1.992251
H 4.371299 2.307777 -2.830766
H 5.546620 2.787048 1.327008
H 5.802157 3.426417 -1.092794


