%chk=000104308.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000104308

0 1
 Br   1.252600       3.725400     -0.3263000    
 O   -4.448800     -0.7785000      -2.322900    
 O   -6.394500      0.4722000       2.494400    
 O    4.381100      -2.338000      0.5243000    
 O    6.473900       2.414200     -0.7409000    
 O   0.2331000      -1.511400      0.8995000    
 N   0.4159000      0.7737000      0.3991000    
 N   -2.001400     -0.7663000      -1.469700    
 C   -3.964200     -0.2955000     -5.1899999E-02
 C   -4.483200      3.0200001E-02   1.202900    
 C   -2.581600     -0.4384000     -0.2200000    
 C    3.993200     -5.9300002E-02  0.1025000    
 C    4.540200       1.182300     -0.2285000    
 C   -6.320300     -0.3369000      -1.016000    
 C   -1.724700     -0.2557000      0.8658000    
 C   -6.839400     -1.0800000E-02  0.2388000    
 C   -4.863700     -0.4912000      -1.207100    
 C   -5.939800      0.1849000       1.393900    
 C    6.313200      -1.104500      1.4900000E-02
 C    6.860200      0.1371000     -0.3156000    
 C    1.806200      0.9380000      0.1824000    
 C   -3.619800      0.2126000       2.289900    
 C    4.859700      -1.248100      0.2359000    
 C    5.993700       1.325900     -0.4494000    
 C    2.614000     -0.1818000      0.3097000    
 C   -2.242700      6.8999998E-02   2.118100    
 C    3.707900       2.301200     -0.3527000    
 C  -0.2789000     -0.3948000      0.7339000    
 C    2.334000       2.174600     -0.1454000    
 C   -7.183700     -0.5193000      -2.102900    
 C   -8.221800      0.1329000      0.4066000    
 C    7.145400      -2.223600      0.1384000    
 C    8.239400      0.2596000     -0.5229000    
 C   -8.560700     -0.3749000      -1.931300    
 C   -9.078700     -4.9699999E-02 -0.6792000    
 C    8.519200      -2.097000     -6.8999998E-02
 C    9.065100     -0.8582000     -0.3990000    
 H   -3.998900      0.4663000       3.276200    
 H    2.256600      -1.166000      0.5620000    
 H   -1.583900      0.2135000       2.970800    
 H    4.127700       3.271000     -0.6103000    
 H  -0.1353000       1.622700      0.2899000    
 H   -6.807600     -0.7734000      -3.090200    
 H   -8.650500      0.3862000       1.372400    
 H    6.744500      -3.200700      0.3945000    
 H    8.689500       1.214500     -0.7811000    
 H  -0.9996000     -0.8614000      -1.565700    
 H   -2.581300     -0.9085000      -2.284200    
 H   -9.230100     -0.5164000      -2.775000    
 H   -10.15120      6.1999999E-02 -0.5483000    
 H    9.164300      -2.965600      2.7000001E-02
 H    10.13500     -0.7624000     -0.5601000    


%chk=000104308-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000104308

0 1
Br 1.601146 3.622797 1.691088
O -4.864174 -2.096585 -1.828219
O -6.340664 1.943747 1.627106
O 4.410067 -2.231115 -0.949858
O 6.876331 2.266607 1.102892
O 0.146491 -1.104009 -0.571757
N 0.562090 0.936529 0.486113
N -2.339274 -1.660673 -1.280957
C -4.155804 -0.358725 -0.292564
C -4.557388 0.678912 0.599985
C -2.736927 -0.647633 -0.465237
C 4.178769 -0.041180 0.044120
C 4.827343 1.113018 0.568977
C -6.615970 -0.809460 -0.812325
C -1.761041 0.170127 0.246841
C -7.021203 0.228095 0.074682
C -5.173446 -1.139706 -1.020581
C -6.005394 1.015801 0.823668
C 6.469058 -1.084982 -0.422336
C 7.108600 0.075263 0.107706
C 1.968621 0.948720 0.485995
C -3.599146 1.421817 1.321910
C 4.978098 -1.197264 -0.478619
C 6.312704 1.228555 0.628308
C 2.771389 -0.119192 0.003019
C -2.230248 1.163220 1.140185
C 4.039413 2.186788 1.050716
C -0.304066 -0.066553 0.025145
C 2.646616 2.100311 1.006784
C -7.598373 -1.549241 -1.515697
C -8.398120 0.514015 0.249070
C 7.256237 -2.158363 -0.907680
C 8.523020 0.142998 0.144416
C -8.966332 -1.259847 -1.338611
C -9.368452 -0.225940 -0.454367
C 8.662816 -2.082894 -0.867973
C 9.297857 -0.929547 -0.340483
H -3.950509 2.189865 2.015614
H 2.293060 -1.009184 -0.409842
H -1.523991 1.742514 1.746867
H 4.550447 3.066978 1.451151
H 0.133839 1.792125 0.852306
H -7.262857 -2.341944 -2.190925
H -8.676609 1.317074 0.938574
H 6.740641 -3.036350 -1.309199
H 8.986206 1.044846 0.556778
H -1.331953 -1.869623 -1.322845
H -3.083696 -2.181591 -1.772165
H -9.721211 -1.835058 -1.885174
H -10.432270 -0.004201 -0.319342
H 9.266471 -2.915284 -1.244698
H 10.391088 -0.872877 -0.310362


