%chk=000125131.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000125131

0 1
 I   0.9626000     -0.1974000       3.371800    
 I    1.265400      -3.312600      -1.867600    
 I    7.183400      7.1999999E-03  5.9099998E-02
 I    2.123100       2.800300      -1.897300    
 Br  -1.351800       3.420900       1.824300    
 O    2.180200      -1.830200      0.8585000    
 O   -6.193100      0.4806000     -0.5899000    
 O   -5.523900      -1.271300      -1.852200    
 O   -2.319800       2.208600     -0.9252000    
 O    5.251200       2.187100      -1.347200    
 N   -3.813400      0.9873000      0.3696000    
 C   -3.425400      -1.435600      0.2999000    
 C   -3.863600     -0.1832000     -0.4703000    
 C   -1.926700      -1.541200      0.4492000    
 C   -1.192600      -2.205100     -0.5207000    
 C   -1.312500     -0.9720000       1.553400    
 C   -5.257800     -0.3874000      -1.044600    
 C   0.8244000      -1.734600      0.7233000    
 C   7.2099999E-02  -1.069300       1.691400    
 C   0.1921000      -2.302500     -0.3827000    
 C   -3.037100       2.095800      6.7299999E-02
 C    2.949900     -0.8240000      0.3046000    
 C   -3.135400       3.182300       1.103600    
 C    2.324500      0.2212000     -0.3529000    
 C    4.327800     -0.8847000      0.4221000    
 C    5.104400      0.1311000     -0.1354000    
 C    3.101100       1.237000     -0.9105000    
 C    4.491000       1.191900     -0.8018000    
 H   -3.782700      -2.343200     -0.2054000    
 H   -3.898300      -1.463200       1.291400    
 H   -3.212300     -2.1100000E-02  -1.338200    
 H   -4.405100       1.002000       1.195200    
 H   -1.698300      -2.640400      -1.379100    
 H   -1.910500     -0.4567000       2.300900    
 H   -3.795400       2.930900       1.935900    
 H   -3.447300       4.120600      0.6404000    
 H    1.248800      0.3022000     -0.4637000    
 H    4.784200      -1.720700      0.9457000    
 H   -7.074900      0.3091000     -0.9838000    
 H    6.187900       1.989600      -1.174600    


%chk=000125131-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000125131

0 1
I 0.920093 -0.560097 3.405590
I 1.110401 -3.119245 -2.195101
I 7.068955 0.413236 0.080245
I 1.958317 3.332016 -1.703777
Br -3.282726 3.575727 1.976328
O 2.081510 -1.761511 0.601696
O -6.141407 0.704326 0.107477
O -6.102285 -1.012767 -1.463528
O -1.473294 1.008800 -0.840135
O 5.021595 2.730793 -1.147504
N -3.523004 0.907576 0.276488
C -3.664014 -1.632820 0.345686
C -3.991272 -0.291820 -0.423906
C -2.164471 -1.805143 0.481963
C -1.413254 -2.337452 -0.593690
C -1.489957 -1.327489 1.630455
C -5.494590 -0.251620 -0.686032
C 0.676572 -1.773052 0.561860
C -0.081358 -1.310416 1.666187
C -0.006844 -2.323282 -0.552634
C -2.303865 1.475692 0.002610
C 2.765301 -0.597368 0.142117
C -1.886690 2.737930 0.757328
C 2.115460 0.521694 -0.425741
C 4.166070 -0.642451 0.288140
C 4.921854 0.461173 -0.140228
C 2.902796 1.614495 -0.842124
C 4.316772 1.614574 -0.712348
H -4.113782 -2.459144 -0.233961
H -4.155161 -1.598755 1.335183
H -3.476482 -0.338035 -1.401592
H -4.170797 1.382820 0.914102
H -1.927831 -2.732271 -1.475252
H -2.063241 -0.945537 2.480376
H -1.610158 3.519714 0.035227
H -1.027719 2.512290 1.408228
H 1.027854 0.550886 -0.551570
H 4.628585 -1.527201 0.729823
H -7.121136 0.689885 -0.064353
H 5.999404 2.603151 -1.009131


