%chk=000103980.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000103980

0 1
 Br  0.6286000      -4.921400     -0.1363000    
 O   0.1754000       1.894400      0.7355000    
 O   -3.705900      -1.519200     -0.6160000    
 N    1.976100      1.1400000E-02  0.8711000    
 N    4.731100       1.175500     -0.9858000    
 N   -2.124700      -3.556700     -0.5582000    
 C  -0.3988000     -0.3605000      0.2851000    
 C   0.9005000     -0.8315000      0.5086000    
 C   -1.412200      -1.253700     -6.8800002E-02
 C    3.298800     -0.4773000       1.098600    
 C    4.257600      0.6755000       1.394800    
 C    4.331700       1.741200      0.2970000    
 C  -0.6867000       1.081500      0.4261000    
 C   -2.062000       1.564900      0.1883000    
 C   -3.075600      0.6716000     -0.1653000    
 C   -2.787700     -0.7703000     -0.3070000    
 C   -1.126100      -2.617900     -0.1997000    
 C    1.181200      -2.191800      0.3770000    
 C   0.1701000      -3.083100      2.3600001E-02
 C   -2.348200       2.929100      0.3194000    
 C   -4.375100       1.142600     -0.3881000    
 C    6.077900      0.6072000     -0.9020000    
 C    4.674000       2.191700      -2.038100    
 C   -3.644500       3.394200      9.6600004E-02
 C   -4.655700       2.502900     -0.2566000    
 H    5.250300      0.2764000       1.631100    
 H    3.923000       1.176000       2.313900    
 H    3.311800      -1.155200       1.960900    
 H    3.674100      -1.028200      0.2285000    
 H    1.759800      0.9754000       1.091400    
 H    5.028900       2.528400      0.6143000    
 H    3.351600       2.224000      0.2013000    
 H    2.174000      -2.597400      0.5473000    
 H   -1.579200       3.646300      0.5934000    
 H   -5.183000      0.4704000     -0.6644000    
 H    6.108700     -0.2839000     -0.2679000    
 H    6.813900       1.331400     -0.5341000    
 H    6.408700      0.2677000      -1.891000    
 H    5.358200       3.026000      -1.844900    
 H    3.658200       2.592100      -2.131900    
 H    4.927500       1.754500      -3.010300    
 H   -3.865700       4.452700      0.1984000    
 H   -5.664100       2.867700     -0.4295000    
 H   -1.879100      -4.534700     -0.6414000    
 H   -3.077400      -3.269800     -0.7284000    


%chk=000103980-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000103980

0 1
Br 0.637757 -4.933673 -0.480507
O 0.174144 1.936424 0.959046
O -3.796406 -1.527017 -0.776047
N 1.902519 0.026525 0.962976
N 5.004300 1.006911 -0.914393
N -2.137440 -3.487747 -0.819011
C -0.437582 -0.317992 0.310845
C 0.905352 -0.806421 0.526844
C -1.469226 -1.224710 -0.144127
C 3.298149 -0.369374 1.195187
C 4.168430 0.875154 1.460281
C 4.350196 1.745954 0.192827
C -0.735801 1.094203 0.554192
C -2.119053 1.577161 0.329660
C -3.137897 0.686683 -0.117049
C -2.841745 -0.744817 -0.370554
C -1.174128 -2.615384 -0.388932
C 1.183397 -2.197932 0.276387
C 0.183346 -3.048357 -0.160007
C -2.431889 2.941865 0.562735
C -4.455197 1.172663 -0.324429
C 6.455968 0.823621 -0.713378
C 4.700039 1.575598 -2.243988
C -3.740503 3.415188 0.354850
C -4.756620 2.526978 -0.090600
H 5.152343 0.540699 1.839045
H 3.717316 1.494404 2.261474
H 3.361718 -1.072342 2.053162
H 3.710247 -0.874986 0.297745
H 1.572531 1.007330 1.121025
H 4.915346 2.673984 0.464333
H 3.354288 2.072184 -0.161506
H 2.192701 -2.583242 0.433752
H -1.628664 3.600777 0.905904
H -5.215654 0.464933 -0.667833
H 6.651919 0.305849 0.241877
H 7.021227 1.790836 -0.702669
H 6.866850 0.195867 -1.524565
H 5.107940 2.607727 -2.393537
H 3.606116 1.614608 -2.390090
H 5.126494 0.926233 -3.030252
H -3.977579 4.469324 0.536631
H -5.774844 2.897919 -0.251519
H -1.907114 -4.465989 -0.987566
H -3.083288 -3.077518 -0.951718


