%chk=000052928.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052928

0 1
 Br  -3.487800       3.895500     -8.5199997E-02
 O    1.786600      0.3722000      0.9916000    
 O    4.483300     -0.5659000     -0.1129000    
 O    1.550600       3.134400      0.5817000    
 O   0.2249000      -3.359100      0.3811000    
 N   0.1271000      -1.064900      0.1817000    
 N   -1.830700      -2.453400      7.5900003E-02
 N   -3.945500      -1.594900     -0.2290000    
 C    3.401900      0.1316000     -0.7271000    
 C    2.269400     -0.8293000      -1.006400    
 C    1.540800     -0.8752000      0.3268000    
 C    2.787200       1.110200      0.2638000    
 C    2.099200       2.287500     -0.4151000    
 C  -0.6755000      4.8700001E-02 -4.4000000E-03
 C  -0.4614000      -2.348400      0.2205000    
 C   -2.003300     -1.4400000E-02 -0.1504000    
 C   -2.587400      -1.397700     -9.7700000E-02
 C   -2.804000       1.164400     -0.3461000    
 C   -2.475400       2.358800      0.1511000    
 H    3.791200      0.6167000      -1.627000    
 H    1.625100     -0.4210000      -1.794500    
 H    2.594500      -1.826000      -1.320700    
 H    1.959700      -1.667400      0.9585000    
 H    3.515300       1.471100      0.9988000    
 H    1.306000       1.985100      -1.102300    
 H    2.832500       2.869100     -0.9841000    
 H    4.809500      -1.219700     -0.7547000    
 H  -0.1765000       1.001700     -4.0600002E-02
 H    1.126300       3.879300      0.1227000    
 H   -3.706300       1.059000     -0.9415000    
 H   -4.335300      -2.530800     -0.1934000    
 H   -4.603100     -0.8325000     -0.3466000    
 H   -1.600900       2.542400      0.7628000    


%chk=000052928-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000052928

0 1
Br -3.782652 4.015717 0.535562
O 1.902456 0.406650 1.060052
O 4.690065 -0.321772 0.150654
O 1.137175 2.927803 0.059151
O 0.408418 -3.220329 -0.282896
N 0.113253 -0.949405 0.180198
N -1.771829 -2.331016 -0.436643
N -3.897668 -1.429809 -0.581884
C 3.526771 0.055471 -0.661631
C 2.471543 -1.073559 -0.771968
C 1.585016 -0.895994 0.492418
C 2.790317 1.152640 0.131106
C 2.006275 2.101743 -0.790758
C -0.678676 0.165525 0.243323
C -0.411671 -2.257506 -0.199875
C -2.043922 0.098683 -0.038123
C -2.553666 -1.232212 -0.355055
C -2.905538 1.292141 -0.036331
C -2.671517 2.414309 0.694744
H 3.854536 0.406167 -1.662945
H 1.861367 -0.950301 -1.683857
H 2.912268 -2.081835 -0.806222
H 1.774069 -1.671874 1.251010
H 3.480055 1.721512 0.773937
H 1.399930 1.531308 -1.527486
H 2.738504 2.727458 -1.343312
H 5.067437 -1.171034 -0.191714
H -0.172911 1.101985 0.506638
H 0.736510 3.652849 -0.483013
H -3.777205 1.281343 -0.706638
H -4.197772 -2.381477 -0.789000
H -4.589841 -0.706370 -0.409536
H -1.863095 2.548290 1.417395


