%chk=000163982.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000163982

0 1
 Br   1.989500      -4.409200     -0.9851000    
 O    1.617900       1.184800       1.273300    
 O  -0.6770000       1.279200     -9.7000003E-03
 O   -7.462300       2.066700     -0.3278000    
 O   -8.097900     -2.8800000E-02 -0.1729000    
 N   -1.837600     -0.7558000      0.1213000    
 N   -7.198400      0.8452000     -0.2138000    
 C    4.112500     -0.1615000       1.454300    
 C    2.904200     -0.7775000      0.8295000    
 C    1.699300     -7.7799998E-02  0.7631000    
 C    4.978100      0.6128000      0.4817000    
 C   0.5810000     -0.6688000      0.1752000    
 C    2.990700      -2.068300      0.3079000    
 C   0.6675000      -1.959700     -0.3462000    
 C    1.872400      -2.659400     -0.2799000    
 C  -0.6874000      4.3200001E-02  9.5600002E-02
 C    4.731000       1.959500      0.2837000    
 C    5.995500     -4.4700000E-02 -0.1864000    
 C   -3.192500     -0.3512000      3.6600001E-02
 C    5.527900       2.672400     -0.6122000    
 C    6.792400      0.6681000      -1.082200    
 C    6.558500       2.026700      -1.295100    
 C   -3.489200      0.9950000     -8.9299999E-02
 C   -4.188900      -1.311200      8.1699997E-02
 C   -5.840300      0.4396000     -0.1289000    
 C   -4.823500       1.393400     -0.1727000    
 C   -5.523000     -0.9127000     -1.8000000E-03
 H    4.725600     -0.9628000       1.894700    
 H    3.882300      0.4500000       2.334000    
 H    3.930000      -2.614200      0.3599000    
 H  -0.1751000      -2.431300     -0.8450000    
 H    3.941300       2.480000      0.8150000    
 H    6.186700      -1.101900     -2.8100001E-02
 H   -1.722600      -1.757100      0.2543000    
 H    5.347700       3.730800     -0.7761000    
 H    7.595000      0.1655000      -1.613800    
 H    7.179300       2.581800      -1.992100    
 H   -2.761600       1.791400     -0.1303000    
 H   -3.952300      -2.367000      0.1803000    
 H    2.307900       1.354800       1.929200    
 H   -5.034700       2.455300     -0.2712000    
 H   -6.288700      -1.683400      3.5700001E-02


%chk=000163982-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000163982

0 1
Br 1.539202 -4.859204 -2.042361
O 1.934524 0.570027 0.851528
O -0.465443 1.073457 -0.903541
O -7.242322 2.552839 0.109967
O -7.868207 0.608559 1.130003
N -1.680477 -0.661386 0.124866
N -6.985580 1.371279 0.568843
C 4.360879 -1.094922 0.744517
C 3.049548 -1.488413 0.072516
C 1.908243 -0.636214 0.155328
C 4.877852 0.302230 0.384383
C 0.665681 -1.032840 -0.405989
C 2.923843 -2.730827 -0.589724
C 0.555284 -2.293490 -1.045784
C 1.685667 -3.125339 -1.133812
C -0.514408 -0.089233 -0.419468
C 4.984081 0.710368 -0.972179
C 5.294953 1.200570 1.401778
C -2.978754 -0.107867 0.211652
C 5.498510 1.982482 -1.301270
C 5.811291 2.476046 1.072996
C 5.914705 2.869688 -0.279865
C -3.303050 1.189531 -0.280988
C -3.990775 -0.904856 0.823416
C -5.606590 0.861679 0.446090
C -4.618727 1.668027 -0.161897
C -5.302729 -0.426549 0.943390
H 5.128161 -1.845906 0.477366
H 4.239564 -1.154842 1.845178
H 3.793229 -3.391957 -0.665146
H -0.391281 -2.593764 -1.506188
H 4.655096 0.030494 -1.767089
H 5.225034 0.897000 2.454002
H -1.558388 -1.587685 0.543639
H 5.571315 2.284795 -2.351650
H 6.127561 3.157549 1.870139
H 6.310213 3.858138 -0.537159
H -2.522667 1.797701 -0.739919
H -3.743064 -1.903122 1.204360
H 2.863369 0.920843 0.937117
H -4.892603 2.659684 -0.531433
H -6.091539 -1.022671 1.408788


