%chk=000067103.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000067103

0 1
 Br   4.016400      0.1442000      -2.161700    
 O   -6.331800      0.4126000      0.3962000    
 C    2.225700      0.3649000      0.1924000    
 C    1.464800     -0.8988000     -0.2772000    
 C  -1.6200000E-02 -0.8817000      0.1133000    
 C  -0.6994000      0.3564000     -0.5415000    
 C    3.684800     -1.0300000E-02 -0.2123000    
 C    1.570200       1.592300     -0.4665000    
 C    2.336400      -2.050000      0.2190000    
 C   5.5000000E-02   1.665400     -0.1892000    
 C    3.782500      -1.513300      0.1551000    
 C  -0.7522000      -2.147700     -0.3332000    
 C    2.155300      0.5609000       1.742600    
 C   -2.198900      0.3776000     -0.2547000    
 C   -2.176800      -2.139000      0.2129000    
 C   -2.886000     -0.8160000      5.7500001E-02
 C    4.727600      0.7895000      0.4442000    
 C   -2.947700       1.561300     -0.3802000    
 C   -4.273400     -0.7871000      0.2851000    
 C   -4.326900       1.574400     -0.1600000    
 C   -4.989300      0.4016000      0.1775000    
 C    5.580000       1.442600      0.9807000    
 H    1.486300     -0.9459000      -1.376300    
 H  -0.1092000     -0.8209000       1.204800    
 H  -0.6213000      0.2397000      -1.633600    
 H    1.691200       1.569600      -1.554400    
 H    2.050500       2.516200     -0.1225000    
 H    2.221100      -2.941900     -0.4058000    
 H    2.081400      -2.333000       1.246500    
 H  -0.1271000       1.932600      0.8583000    
 H  -0.3360000       2.498800     -0.7847000    
 H    4.252200      -1.659900       1.136500    
 H    4.378100      -2.096300     -0.5569000    
 H  -0.2436000      -3.050500      2.2900000E-02
 H  -0.7725000      -2.204400      -1.429300    
 H    1.132500      0.6345000       2.119800    
 H    2.631900     -0.2562000       2.293500    
 H    2.655800       1.489900       2.039800    
 H   -2.150300      -2.382200       1.282900    
 H   -2.748800      -2.928500     -0.2895000    
 H   -2.475900       2.498400     -0.6598000    
 H   -4.797400      -1.704000      0.5473000    
 H   -4.870400       2.510300     -0.2604000    
 H    6.335800       2.022200       1.456900    
 H   -6.663100       1.319400      0.2777000    


%chk=000067103-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000067103

0 1
Br 3.956814 0.113721 -2.273448
O -6.424023 0.401194 0.317609
C 2.216358 0.352479 0.227170
C 1.467589 -0.926722 -0.258384
C -0.023193 -0.911827 0.124238
C -0.687303 0.346335 -0.519886
C 3.697093 -0.008979 -0.155494
C 1.576368 1.605088 -0.410423
C 2.364050 -2.099318 0.218356
C 0.050129 1.659053 -0.123129
C 3.821968 -1.529254 0.203514
C -0.783657 -2.175715 -0.330432
C 2.201132 0.502261 1.783016
C -2.202498 0.378667 -0.258608
C -2.221341 -2.160888 0.227190
C -2.923237 -0.814793 0.056263
C 4.741929 0.851435 0.369306
C -2.937885 1.585160 -0.379236
C -4.324103 -0.765903 0.240968
C -4.335115 1.637828 -0.195548
C -5.029354 0.447230 0.118724
C 5.623488 1.576996 0.835634
H 1.512832 -0.909043 -1.368082
H -0.121399 -0.844196 1.229398
H -0.544514 0.227456 -1.619946
H 1.737302 1.576211 -1.504476
H 2.061411 2.527043 -0.034743
H 2.269777 -2.982119 -0.436479
H 2.083247 -2.415863 1.240968
H -0.144311 1.879903 0.944830
H -0.365142 2.510410 -0.694209
H 4.303585 -1.614461 1.195391
H 4.477345 -2.043437 -0.515686
H -0.262641 -3.088902 0.014744
H -0.801807 -2.210451 -1.439099
H 1.170989 0.639725 2.149551
H 2.624455 -0.374208 2.303117
H 2.787465 1.389097 2.080200
H -2.188483 -2.405663 1.309715
H -2.828465 -2.955903 -0.246768
H -2.416461 2.515114 -0.626826
H -4.885706 -1.675713 0.480338
H -4.871371 2.590368 -0.298109
H 6.399037 2.208235 1.228360
H -6.821054 1.300050 0.204110


