%chk=000126933.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000126933

0 1
 Br   6.849300     -0.1313000       1.619200    
 O   0.4682000      0.8866000     -0.5960000    
 O    2.863100     -6.7400001E-02  0.8285000    
 O   -3.724700      -3.637400      0.1054000    
 O   -2.697600       3.269800       1.267000    
 O    1.086800      -3.020800      -2.706300    
 O   -2.607500      -2.727000       1.867200    
 O   -3.818200       1.438900       2.024000    
 O   0.8257000      -3.690500     -0.5467000    
 O    1.111200       4.249700      -2.174000    
 O    1.309000       3.711800      2.8800000E-02
 O    4.574600      -1.467700      0.1831000    
 C   -1.945900     -0.4744000      0.1734000    
 C   -1.987900      0.8487000     -0.6412000    
 C  -0.6030000      -1.224700     -4.2399999E-02
 C  -0.7068000       1.675200     -0.3703000    
 C   0.5475000     -0.2473000      0.2691000    
 C   -3.155800      -1.378300     -8.8100001E-02
 C   -3.251600       1.662200     -0.3365000    
 C  -0.4837000      -1.840700      -1.445300    
 C  -0.5775000       2.894000      -1.280300    
 C    1.934600     -0.8579000      0.1080000    
 C   -3.110300      -2.618000      0.7589000    
 C   -3.309200       2.067800       1.108400    
 C   0.5275000      -2.949300      -1.471200    
 C   0.7034000       3.642300      -1.030100    
 C    4.173500     -0.4833000      0.7875000    
 C    5.005300      0.4691000       1.600000    
 H   -1.962800     -0.2123000       1.241000    
 H   -2.007300      0.5821000      -1.706700    
 H  -0.5333000      -2.026700      0.7017000    
 H  -0.6644000       2.002500      0.6751000    
 H   0.4525000      0.1087000       1.304700    
 H   -3.247900      -1.634000      -1.147400    
 H   -4.086500     -0.8757000      0.1948000    
 H   -4.165200       1.107100     -0.5717000    
 H   -3.317400       2.557000     -0.9656000    
 H   -1.412300      -2.302300      -1.786900    
 H  -0.2074000      -1.074000      -2.177900    
 H   -1.398100       3.603500      -1.146800    
 H  -0.5732000       2.556100      -2.324400    
 H    1.963100      -1.855500      0.5536000    
 H    2.238500     -0.8866000     -0.9441000    
 H   -3.713800      -4.466700      0.6294000    
 H   -2.712400       3.567300       2.201600    
 H    1.756700      -3.735200      -2.763200    
 H    1.946700       4.747600      -2.045700    
 H    4.995900       1.465100       1.153300    
 H    4.666600      0.4874000       2.637800    


%chk=000126933-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000126933

0 1
Br 5.457641 2.810684 0.019387
O 0.749216 0.585115 -0.342028
O 2.981347 -0.387690 1.069916
O -4.280263 -3.424079 0.048699
O -2.800144 3.388247 1.169595
O 0.326323 -3.755652 -2.878993
O -2.826401 -2.860640 1.767691
O -4.002851 1.462368 1.662666
O 0.774810 -3.985656 -0.615096
O 2.195640 3.502983 -1.471599
O 1.683276 3.359926 0.788977
O 3.880876 0.242876 -1.003905
C -1.847316 -0.563877 0.191016
C -1.694313 0.773543 -0.613042
C -0.576500 -1.465210 0.000287
C -0.399017 1.488017 -0.134835
C 0.637291 -0.632043 0.485126
C -3.173209 -1.295501 -0.125335
C -2.944125 1.709641 -0.557532
C -0.395215 -1.961493 -1.454691
C -0.030766 2.779935 -0.886454
C 2.007747 -1.309698 0.418209
C -3.361230 -2.570203 0.675629
C -3.324428 2.128308 0.848285
C 0.290605 -3.311226 -1.551648
C 1.339351 3.242055 -0.412456
C 3.739816 0.426426 0.216430
C 4.317421 1.544226 1.077931
H -1.882958 -0.310789 1.271215
H -1.554194 0.528324 -1.686215
H -0.678524 -2.337434 0.672462
H -0.475333 1.716816 0.951550
H 0.452587 -0.328218 1.540011
H -3.301263 -1.524981 -1.198325
H -4.020441 -0.642154 0.162919
H -3.810008 1.184716 -0.994626
H -2.754118 2.607864 -1.166227
H -1.360885 -2.059291 -1.984270
H 0.195265 -1.233880 -2.045759
H -0.766859 3.567279 -0.644736
H -0.007443 2.617982 -1.976301
H 2.024478 -2.242748 0.999389
H 2.335105 -1.493116 -0.618978
H -4.422535 -4.228455 0.619131
H -3.040957 3.627895 2.106290
H 0.792409 -4.634839 -2.920773
H 3.123367 3.683149 -1.139033
H 3.496993 2.154429 1.488542
H 4.947731 1.141573 1.884203


