%chk=000037841.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000037841

0 1
 Br   4.739300      0.5533000      -2.080300    
 Br  -4.725900      0.5267000       2.083700    
 Br   2.716000      -1.847300       2.729500    
 Br  -2.693000      -1.847600      -2.735000    
 O    4.683300      -1.287300      0.4068000    
 O   -4.662500      -1.304200     -0.4103000    
 C   4.1999999E-03   1.847400      4.1000000E-03
 C    1.240600       1.020100      0.1105000    
 C   -1.289800      0.9747000     -0.1107000    
 C  -6.0899999E-02   2.818400      -1.234600    
 C  -5.4000001E-02   2.817400       1.236200    
 C    1.393500      0.1288000       1.172400    
 C   -1.378300      0.1278000      -1.170500    
 C    2.243900       1.137300     -0.8516000    
 C   -2.232700       1.125300      0.8572000    
 C    3.399900      0.3632000     -0.7516000    
 C   -3.385700      0.3470000      0.7544000    
 C    2.549700     -0.6453000       1.272300    
 C   -2.531400     -0.6506000      -1.273400    
 C    3.552800     -0.5280000      0.3103000    
 C   -3.535100     -0.5408000     -0.3110000    
 C    4.663700      -2.558500     -0.2365000    
 C   -4.637800      -2.577800      0.2281000    
 H   0.7487000       3.558100      -1.203200    
 H   8.3999997E-03   2.291100      -2.193000    
 H   -1.005800       3.377000      -1.246900    
 H   0.8543000       3.433900       1.272000    
 H  -0.8995000       3.514000       1.179900    
 H  -0.1000000       2.289700       2.196200    
 H   0.6130000      2.9600000E-02   1.923100    
 H  -0.5920000      4.0899999E-02  -1.913100    
 H    2.158200       1.821000      -1.689500    
 H   -2.155300       1.797500       1.700400    
 H    4.511600      -2.453600      -1.314800    
 H    3.882700      -3.200800      0.1812000    
 H    5.631700      -3.039200     -6.9700003E-02
 H   -3.853700      -3.215100     -0.1915000    
 H   -5.603600      -3.062100      5.8699999E-02
 H   -4.486900      -2.476300       1.307000    


%chk=000037841-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000037841

0 1
Br 5.043228 0.839280 -1.862643
Br -5.071237 0.788329 1.852952
Br 2.593947 -2.191440 2.468112
Br -2.575729 -2.224982 -2.463915
O 4.823007 -1.285478 0.449288
O -4.821620 -1.338071 -0.453206
C -0.017203 1.916422 0.002010
C 1.254632 1.032880 0.043051
C -1.278922 1.017991 -0.041189
C -0.057998 2.834831 -1.255927
C 0.012253 2.832129 1.262129
C 1.343689 -0.004394 1.008735
C -1.353654 -0.022057 -1.004696
C 2.364695 1.260920 -0.803629
C -2.394064 1.236573 0.801319
C 3.525475 0.470521 -0.683166
C -3.545984 0.433702 0.678813
C 2.507913 -0.782700 1.113085
C -2.509410 -0.812797 -1.111189
C 3.636294 -0.569986 0.273439
C -3.642657 -0.610232 -0.275888
C 4.948804 -2.522404 -0.359316
C -4.934520 -2.577530 0.353436
H 0.764716 3.572547 -1.238424
H 0.006672 2.254163 -2.193277
H -1.009782 3.393662 -1.272423
H 0.958617 3.400083 1.281847
H -0.817215 3.562233 1.244908
H -0.048757 2.248741 2.198050
H 0.496338 -0.209200 1.670250
H -0.502171 -0.219061 -1.663199
H 2.338946 2.048400 -1.559760
H -2.378607 2.025756 1.555949
H 4.921475 -2.284091 -1.438558
H 4.146156 -3.237464 -0.100571
H 5.929106 -2.941246 -0.089796
H -4.125150 -3.284363 0.093153
H -5.910886 -3.005558 0.084045
H -4.908797 -2.340408 1.433001


