%chk=000176665.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000176665

0 1
 Br   3.349100       3.302400      -1.822800    
 O    3.362800      -1.740700       1.388100    
 O  -0.8819000      -1.556100       1.006100    
 N   -1.705800      -1.368900      -1.157000    
 N    2.276200      -2.432300      0.8669000    
 C   -3.039400     -0.9353000     -0.8088000    
 C   -3.031800      0.3961000     -4.5800000E-02
 C   -3.674200      -2.039700      5.6200001E-02
 C   -3.836400     -0.7926000      -2.118700    
 C  -0.7298000      -1.645500     -0.2097000    
 C   0.5928000      -2.069800     -0.8464000    
 C   -4.029400      0.6317000      0.8691000    
 C   -2.028000       1.296300     -0.3097000    
 C    1.773100      -1.635400     -8.0700003E-02
 C    2.493300     -0.4320000     -0.2079000    
 C   -4.022600       1.841600       1.562900    
 C   -2.021400       2.506300      0.3840000    
 C    3.490200     -0.5479000      0.7451000    
 C   -3.018700       2.779200       1.320400    
 C    2.434600      0.7275000     -0.9949000    
 C    4.460400      0.4203000      0.9869000    
 C    3.397000       1.724000     -0.7783000    
 C    4.390000       1.571000      0.1948000    
 H   -1.475400      -1.476300      -2.140900    
 H   -3.488500      -3.028300     -0.3843000    
 H   -3.287400      -2.071800       1.080700    
 H   -4.765000      -1.944000      0.1162000    
 H   -3.866400      -1.739400      -2.671000    
 H   -3.386500     -4.2399999E-02  -2.780400    
 H   -4.870400     -0.4828000      -1.927400    
 H   0.5693000      -3.163000     -0.9362000    
 H   0.6555000      -1.676000      -1.868100    
 H   -4.843000     -5.3700000E-02   1.071900    
 H   -1.253100       1.121200      -1.048700    
 H   -4.802400       2.057300       2.287500    
 H   -1.242600       3.238400      0.1914000    
 H   -3.014800       3.722500       1.858600    
 H    1.661500      0.8439000      -1.748600    
 H    5.225700      0.2927000       1.742800    
 H    5.130700       2.352600      0.3522000    


%chk=000176665-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000176665

0 1
Br 2.004923 3.650300 0.525366
O 4.041481 -2.106923 0.322437
O -0.606589 -1.372520 0.848354
N -1.718162 -1.524665 -1.198077
N 2.858253 -2.787461 -0.256842
C -3.052943 -1.032289 -0.729447
C -2.918617 0.423092 -0.214988
C -3.615534 -2.010577 0.332573
C -3.979231 -1.037238 -1.978195
C -0.609027 -1.660508 -0.383093
C 0.635239 -2.215763 -1.112998
C -3.572599 0.874173 0.956076
C -2.169796 1.362333 -0.971939
C 1.931263 -1.828671 -0.455104
C 2.404020 -0.520230 -0.040814
C -3.479330 2.225382 1.362253
C -2.070557 2.710456 -0.568570
C 3.723587 -0.746363 0.429032
C -2.729293 3.150009 0.603380
C 1.854805 0.787010 -0.013227
C 4.556215 0.273707 0.921527
C 2.688663 1.809243 0.467469
C 4.015813 1.575736 0.929325
H -1.644009 -1.806393 -2.178154
H -3.631281 -3.033290 -0.083886
H -2.987627 -2.008007 1.237690
H -4.651192 -1.742320 0.605450
H -4.097217 -2.063187 -2.376185
H -3.582998 -0.381659 -2.775363
H -4.977302 -0.658980 -1.702203
H 0.575698 -3.320215 -1.134431
H 0.644071 -1.872225 -2.167147
H -4.141161 0.173192 1.574211
H -1.649967 1.032340 -1.880408
H -3.984987 2.551450 2.278207
H -1.476460 3.416036 -1.160637
H -2.649766 4.194756 0.923350
H 0.824989 0.987000 -0.318213
H 5.568131 0.072194 1.280363
H 4.615793 2.412177 1.298362


