%chk=000002448.chk
%nprocshared=4
%mem=4GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002448

0 1
 Br   9.342100     -6.9799997E-02  0.2298000    
 F   -8.775100       1.363200      0.4297000    
 O    2.928500       1.310000      -1.291300    
 O   -3.192300     -0.6276000      -1.625300    
 N   0.4608000     -0.3826000      0.7318000    
 C    3.167300      0.3623000     -0.2400000    
 C    2.448800     -0.9523000     -0.6179000    
 C    2.560300      0.8939000       1.079100    
 C   0.9208000     -0.8322000     -0.5865000    
 C    1.026600      0.9273000       1.070100    
 C   -1.000500     -0.3375000      0.7773000    
 C    4.688900      0.2563000     -0.1255000    
 C   -1.581700      -1.722900      0.4876000    
 C    5.320600     -0.9644000     -0.3573000    
 C    5.441500       1.380500      0.2114000    
 C   -3.112600      -1.729000      0.5206000    
 C    6.708100      -1.061500     -0.2517000    
 C    6.829000       1.283500      0.3170000    
 C   -3.743700     -0.8503000     -0.5502000    
 C    7.462400      6.2399998E-02  8.5299999E-02
 C   -5.087100     -0.2594000     -0.2884000    
 C   -5.964600     -0.9452000      0.5212000    
 C   -5.400600      0.9508000     -0.8661000    
 C   -7.221500     -0.3921000      0.7659000    
 C   -6.657500       1.504000     -0.6213000    
 C   -7.568000      0.8326000      0.1948000    
 H    2.729100      -1.754300      7.8299999E-02
 H    2.739900      -1.267000      -1.628600    
 H    2.903200       1.915500       1.283200    
 H    2.895800      0.2686000       1.918000    
 H   0.5736000      -1.840500     -0.8244000    
 H   0.5682000     -0.1674000      -1.384800    
 H   0.6930000       1.224100       2.072400    
 H   0.6724000       1.701000      0.3769000    
 H   -1.327600     -2.6699999E-02   1.777500    
 H   -1.385500      0.4033000      6.6200003E-02
 H   -1.208000      -2.446000       1.223000    
 H   -1.309500      -2.093900     -0.5039000    
 H    1.976900       1.492300      -1.345800    
 H    4.784100      -1.866000     -0.6303000    
 H    4.971000       2.344300      0.3839000    
 H   -3.437100      -1.393900       1.512200    
 H   -3.472900      -2.752600      0.3672000    
 H    7.186900      -2.019700     -0.4369000    
 H    7.402300       2.169300      0.5781000    
 H   -5.726300      -1.906800      0.9638000    
 H   -4.699500       1.486600      -1.498700    
 H   -7.932300     -0.9162000       1.398000    
 H   -6.927200       2.458000      -1.064800    


%chk=000002448-Freq.chk
%nprocshared=4
%mem=4GB
#p freq=noraman PBEPBE/SDD

000002448

0 1
Br 9.407083 -0.897187 -0.680536
F -9.346515 0.511323 -0.492680
O 3.177030 2.033942 -0.365635
O -3.031425 -0.192875 -1.340613
N 0.571777 -0.243560 0.853625
C 3.306097 0.614108 0.044546
C 2.391956 -0.270233 -0.852462
C 2.864388 0.463309 1.529785
C 0.896746 -0.019300 -0.576202
C 1.348509 0.682963 1.710836
C -0.888220 -0.195976 1.120490
C 4.784680 0.257495 -0.134698
C -1.598683 -1.503231 0.705160
C 5.246763 -1.048884 0.168713
C 5.716932 1.214509 -0.602332
C -3.133948 -1.390884 0.785074
C 6.605768 -1.399073 0.010935
C 7.081445 0.882284 -0.766476
C -3.748146 -0.596681 -0.376640
C 7.508964 -0.423082 -0.456750
C -5.226303 -0.323356 -0.367614
C -6.084092 -0.773047 0.673660
C -5.782021 0.411853 -1.451917
C -7.466568 -0.498640 0.639008
C -7.158318 0.697602 -1.504244
C -7.969754 0.232619 -0.451779
H 2.610460 -1.336084 -0.660123
H 2.624468 -0.058743 -1.912343
H 3.431150 1.187841 2.142823
H 3.113357 -0.554105 1.881980
H 0.287869 -0.693187 -1.202171
H 0.613338 1.025103 -0.889333
H 1.078366 0.501522 2.767400
H 1.088614 1.757555 1.496297
H -1.028554 -0.042193 2.208667
H -1.367991 0.669537 0.601251
H -1.242976 -2.321381 1.357680
H -1.319111 -1.763731 -0.331002
H 2.221245 2.288167 -0.309901
H 4.551424 -1.814927 0.532023
H 5.361873 2.220301 -0.837267
H -3.443297 -0.928872 1.745345
H -3.592269 -2.401671 0.778016
H 6.950434 -2.409839 0.247209
H 7.792962 1.629704 -1.129293
H -5.682577 -1.341725 1.517823
H -5.106630 0.747576 -2.245171
H -8.143205 -0.836419 1.428860
H -7.602095 1.261571 -2.329425


