%chk=000066478.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000066478

0 1
 Br   3.486100      -3.891100      0.1056000    
 O  -0.1215000       1.598200      7.7600002E-02
 O    4.424300      -1.201300     -4.9600001E-02
 O   -3.073200      -2.078000     -0.7765000    
 N   -1.600800     -0.5506000      0.2351000    
 C   0.8603000     -0.5584000      0.1097000    
 C    2.044800      -1.297300      7.7600002E-02
 C    2.202600       1.599800     -4.2300001E-02
 C    3.387100      0.8608000     -7.4800000E-02
 C  -0.3717000      -1.217400      0.1981000    
 C   0.8960000      0.9173000      5.1300000E-02
 C    3.351500     -0.6148000     -1.6100001E-02
 C    1.997200      -2.695400      0.1345000    
 C  -0.4146000      -2.610800      0.2543000    
 C    2.250200       2.997900     -9.8399997E-02
 C    4.619200       1.519900     -0.1633000    
 C   0.7674000      -3.348200      0.2227000    
 C    3.480100       3.650600     -0.1865000    
 C    4.662100       2.913300     -0.2188000    
 C   -2.837700      -1.002100     -0.2372000    
 C   -3.964700     -4.5800000E-02 -7.9200000E-02
 C   -5.025200     -0.1162000     -0.9578000    
 C   -3.912500      0.8808000      0.9408000    
 C   -6.082500      0.7816000     -0.8096000    
 C   -4.969700       1.778500       1.089100    
 C   -6.054800       1.728800      0.2138000    
 H   -1.339700      -3.166200      0.3697000    
 H    1.344400       3.597700     -7.4900001E-02
 H    5.557300      0.9723000     -0.1904000    
 H   0.7011000      -4.432400      0.2784000    
 H   -1.531300      0.4398000      0.4466000    
 H    3.516300       4.735400     -0.2299000    
 H    5.618200       3.424100     -0.2874000    
 H   -5.060700     -0.8430000      -1.763800    
 H   -3.104200      0.9294000       1.663200    
 H   -6.927000      0.7438000      -1.491700    
 H   -4.952500       2.511200       1.890700    
 H   -6.878700       2.426800      0.3302000    


%chk=000066478-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000066478

0 1
Br 3.603819 -3.978766 -0.222787
O -0.185678 1.561021 0.105784
O 4.559707 -1.231239 -0.065397
O -3.194307 -2.296177 -0.121833
N -1.574159 -0.588615 -0.027745
C 0.882266 -0.618689 -0.023659
C 2.127910 -1.362417 -0.067604
C 2.197331 1.578354 0.120240
C 3.420368 0.861073 0.076826
C -0.382579 -1.320928 -0.069162
C 0.902647 0.862016 0.068315
C 3.442713 -0.629507 -0.022235
C 2.063395 -2.777108 -0.153810
C -0.388285 -2.744828 -0.156538
C 2.208991 2.993946 0.213469
C 4.649537 1.564080 0.126398
C 0.815391 -3.448320 -0.196898
C 3.433243 3.686594 0.262901
C 4.657236 2.969379 0.219237
C -2.895947 -1.062345 -0.058046
C -3.963409 -0.000210 -0.008998
C -5.308889 -0.455136 -0.009181
C -3.704981 1.397731 0.032489
C -6.376830 0.462301 0.032160
C -4.777604 2.314183 0.073319
C -6.114201 1.852251 0.073603
H -1.348226 -3.262449 -0.189990
H 1.250718 3.520076 0.245133
H 5.577308 0.985222 0.090430
H 0.799177 -4.539954 -0.263026
H -1.392706 0.438259 0.035113
H 3.441940 4.779204 0.334899
H 5.608787 3.510014 0.257759
H -5.483965 -1.535222 -0.043138
H -2.685741 1.799276 0.031435
H -7.409786 0.098148 0.031929
H -4.569458 3.389070 0.104186
H -6.942534 2.568714 0.105226


