%chk=000295172.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000295172

0 1
Br 0.310718 0.182221 1.265280
O 0.362538 0.746508 -1.808341
O 7.471833 -0.563753 1.030939
O 1.554392 -1.218887 -1.843185
N 2.272246 0.656554 -0.590989
C -3.505241 0.021175 -0.446001
C -4.892727 -0.200940 0.015447
C -2.447546 -0.013847 0.477654
C -3.245869 0.265089 -1.806751
C -0.896174 0.431927 -1.322880
C -1.140373 0.198274 0.040989
C -1.941740 0.464929 -2.255842
C -5.871248 0.782803 -0.197846
C -5.234253 -1.396569 0.667107
C 3.613261 0.277014 -0.232535
C -7.180756 0.569407 0.240142
C -6.546514 -1.604029 1.099553
C 4.446117 1.270656 0.330334
C 4.072378 -1.039825 -0.383962
C -7.520546 -0.622764 0.887922
C 6.180995 -0.387534 0.582330
C 5.729240 0.941352 0.741196
C 5.365185 -1.377609 0.023542
C 1.463823 -0.095080 -1.432159
C 8.048720 -1.887317 0.920612
H -2.653892 -0.198506 1.534837
H -4.072906 0.285259 -2.519098
H -1.717054 0.643066 -3.307586
H -5.607225 1.713586 -0.697269
H -4.478010 -2.163746 0.828042
H -7.938195 1.334636 0.076728
H -6.810615 -2.533361 1.602338
H 4.088540 2.293250 0.447165
H 3.425150 -1.808040 -0.822419
H -8.541731 -0.786727 1.226981
H 2.010831 1.641010 -0.438653
H 6.395035 1.682567 1.180640
H 5.713327 -2.399273 -0.099509
H 8.110434 -2.189440 -0.128786
H 7.478886 -2.602607 1.520471
H 9.049866 -1.729627 1.343460


%chk=000295172-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000295172

0 1
Br -0.599588 0.731267 2.685030
O 0.373470 1.287755 -0.285729
O 7.963131 -0.821807 0.067794
O 1.219216 -0.935612 -0.183788
N 2.605682 0.991469 -0.135446
C -3.718468 0.096793 -0.138506
C -5.158099 -0.288730 -0.089350
C -2.956731 0.198444 1.057923
C -3.071641 0.377603 -1.373065
C -0.966705 0.837553 -0.219406
C -1.599533 0.565111 1.014885
C -1.712863 0.741493 -1.411749
C -6.086860 0.247518 -1.023589
C -5.639599 -1.201799 0.889016
C 3.925954 0.454573 -0.082132
C -7.449451 -0.116413 -0.981764
C -7.002283 -1.565062 0.932700
C 5.007735 1.376084 -0.049242
C 4.195156 -0.934903 -0.062359
C -7.914982 -1.024537 -0.002734
C 6.603480 -0.472764 0.018497
C 6.333655 0.918859 0.000984
C 5.529636 -1.395009 -0.012851
C 1.421600 0.295673 -0.189016
C 8.289466 -2.249234 0.087662
H -3.434494 0.026265 2.026592
H -3.625297 0.277027 -2.311981
H -1.205834 0.944744 -2.359875
H -5.747527 0.978406 -1.766331
H -4.938588 -1.656263 1.598567
H -8.149063 0.316043 -1.705742
H -7.349754 -2.277059 1.689532
H 4.811424 2.455465 -0.062970
H 3.366964 -1.646645 -0.083271
H -8.972920 -1.306960 0.030758
H 2.509562 2.009313 -0.127925
H 7.173576 1.619097 0.026862
H 5.711311 -2.473591 0.001903
H 7.925984 -2.758548 -0.826322
H 7.866355 -2.747100 0.982070
H 9.387824 -2.292719 0.124266


