%chk=000177417.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000177417

0 1
 Br  -1.786100       3.615500      0.2498000    
 O    1.827400      -2.409800      0.3274000    
 O    1.994300      -1.055400      -1.963300    
 O    4.023100       1.197000       1.391600    
 O   -2.964400      -2.707900     -0.2508000    
 N    2.777700      0.6542000     -0.5356000    
 N    2.341300     -0.4245000       1.396300    
 N   -1.807100      0.6806000      0.1438000    
 N  -0.8760000      -1.932600      0.2975000    
 C    1.451700      -1.051900      0.4386000    
 C    1.662800     -0.2319000     -0.8602000    
 C  -1.8300001E-02 -0.8718000      0.8358000    
 C  -0.3767000      0.5067000      0.2580000    
 C   0.3423000      0.5205000      -1.096300    
 C    3.152100      0.5590000      0.8146000    
 C   -2.668500     -0.3842000      2.6400000E-02
 C   -2.225400      -1.760600      9.7000003E-03
 C    3.405900       1.531000      -1.505800    
 C   -2.489900       1.861200      0.1276000    
 C   -3.939900      0.1459000     -8.7300003E-02
 C   -3.826500       1.558800     -1.7899999E-02
 H  -0.1615000     -0.8962000       1.923000    
 H   2.1400001E-02   1.290900      0.9129000    
 H  -0.2523000      4.9999999E-03  -1.862100    
 H   0.4876000       1.544700      -1.454900    
 H    2.422200     -0.7132000       2.366000    
 H  -0.5197000      -2.883300      0.3157000    
 H    1.756000      -2.798700       1.215500    
 H    2.840700      -1.485200      -1.753500    
 H    3.806200      0.9274000      -2.324200    
 H    4.220600       2.090400      -1.038700    
 H    2.663700       2.232800      -1.892600    
 H   -4.852700     -0.4220000     -0.2041000    
 H   -4.638600       2.271000     -7.3500000E-02


%chk=000177417-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000177417

0 1
Br -1.826429 3.605836 0.446002
O 1.771553 -2.431711 0.342213
O 1.874731 -1.085965 -1.940413
O 4.135709 1.225717 1.379739
O -2.912656 -2.763164 -0.424988
N 2.837113 0.627728 -0.526538
N 2.341914 -0.345177 1.446220
N -1.856988 0.702831 0.213116
N -0.853870 -1.899657 0.256781
C 1.437297 -0.999952 0.543498
C 1.648928 -0.200785 -0.829049
C -0.060689 -0.850014 0.903722
C -0.402716 0.548151 0.312441
C 0.344678 0.608370 -1.053541
C 3.218391 0.585244 0.809622
C -2.720964 -0.389252 -0.019070
C -2.206508 -1.768253 -0.077105
C 3.521199 1.434263 -1.533952
C -2.618595 1.866596 0.184137
C -4.022272 0.113255 -0.176153
C -3.963344 1.538389 -0.044548
H -0.199257 -0.855293 2.006117
H -0.011580 1.325558 0.991882
H -0.247700 0.104856 -1.834563
H 0.537004 1.647371 -1.365186
H 2.317918 -0.431593 2.460867
H -0.443490 -2.836775 0.211834
H 2.621719 -2.609189 0.821603
H 2.106003 -1.980374 -1.556239
H 3.762570 0.813525 -2.413260
H 4.450126 1.822957 -1.085739
H 2.902845 2.292724 -1.859771
H -4.902695 -0.499219 -0.358232
H -4.786542 2.246399 -0.102047


