%chk=000175339.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000175339

0 1
 Br   4.051700      0.5216000      -2.371500    
 O    1.688400      -1.056200     -2.7400000E-02
 O   -2.331700      -3.508900     -0.4336000    
 O   -2.001800       2.453000      0.3258000    
 O   -4.555100      -2.196300     -0.3180000    
 O    4.476100      -1.201100      0.1964000    
 N   0.3391000       1.330600      0.2433000    
 C   -1.796400      0.1084000      3.5900000E-02
 C   -2.467300      -1.104600     -0.1333000    
 C   -4.028700       1.328700      0.1374000    
 C   -4.699500      0.1157000     -3.1599998E-02
 C  -0.3971000      0.1334000      7.2800003E-02
 C   -2.552600       1.369400      0.1772000    
 C   -3.943300      -1.145400     -0.1726000    
 C   -1.738600      -2.292800     -0.2662000    
 C   0.3251000      -1.053100     -5.9700001E-02
 C  -0.3442000      -2.263500     -0.2288000    
 C   -4.757300       2.516900      0.2705000    
 C   -6.098900      9.0800002E-02 -6.7699999E-02
 C   -6.151600       2.487500      0.2345000    
 C   -6.821000       1.277000      6.5399997E-02
 C    2.309200      -1.826100      0.9994000    
 C    3.644200      -1.197900       1.350200    
 C    5.378900     -0.1767000      8.3700001E-02
 C    5.345100      0.6982000     -0.9974000    
 C    6.336900     -2.8800000E-02   1.082200    
 C    6.278600       1.731400      -1.081400    
 C    7.270400       1.004300      0.9982000    
 C    7.241200       1.884300     -8.3600000E-02
 H   0.2226000      -3.184700     -0.3417000    
 H   -4.261600       3.474800      0.4033000    
 H   -6.645900     -0.8391000     -0.1982000    
 H   -6.716300       3.409600      0.3379000    
 H   -7.906600       1.256900      3.7400000E-02
 H    1.680000      -1.869200       1.896900    
 H    2.464400      -2.841500      0.6177000    
 H    1.350200       1.294400      0.2648000    
 H  -0.1280000       2.219900      0.3452000    
 H    4.130900      -1.772200       2.145600    
 H    3.476300     -0.1704000       1.698300    
 H   -1.649800      -4.198600     -0.5032000    
 H    6.378300     -0.7117000       1.926100    
 H    6.271200       2.426700      -1.916900    
 H    8.021300       1.122300       1.774000    
 H    7.968500       2.688300     -0.1490000    


%chk=000175339-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000175339

0 1
Br 4.809868 0.858722 -2.828716
O 1.498408 -0.593196 0.795508
O -2.335737 -3.486286 -0.224778
O -2.408076 2.603525 0.588981
O -4.711122 -2.338992 -0.369416
O 4.291178 -0.496017 -0.142953
N -0.053179 1.554235 0.791554
C -2.080476 0.216194 0.331374
C -2.670302 -1.085797 0.072827
C -4.373094 1.301849 0.139930
C -4.959602 0.030936 -0.105281
C -0.668057 0.352793 0.553696
C -2.911657 1.431201 0.366775
C -4.136157 -1.222701 -0.149394
C -1.813780 -2.216789 0.036488
C 0.147473 -0.837334 0.529832
C -0.411536 -2.086077 0.268006
C -5.187980 2.463345 0.172710
C -6.358435 -0.064307 -0.315176
C -6.575465 2.359882 -0.036814
C -7.162943 1.090460 -0.281560
C 2.431064 -1.727381 0.747030
C 3.819431 -1.195954 1.057243
C 5.539035 0.133165 -0.085462
C 5.963930 0.824014 -1.252534
C 6.390553 0.117597 1.049128
C 7.205411 1.484470 -1.287652
C 7.636669 0.781394 1.012000
C 8.048673 1.465417 -0.150917
H 0.216511 -2.983938 0.238120
H -4.704178 3.425863 0.364278
H -6.780768 -1.056603 -0.501907
H -7.202826 3.257544 -0.011139
H -8.243334 1.010628 -0.444633
H 2.138960 -2.479327 1.508771
H 2.414211 -2.188048 -0.259787
H 0.958980 1.579614 0.900387
H -0.668111 2.384935 0.798515
H 4.496720 -2.042377 1.294706
H 3.779122 -0.505764 1.923218
H -1.608112 -4.161049 -0.231252
H 6.089009 -0.407706 1.960145
H 7.510009 2.010941 -2.196972
H 8.281982 0.760761 1.896547
H 9.013032 1.981459 -0.183124


