%chk=000212278.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000212278

0 1
Br 5.725471 1.238035 -1.315934
O 0.943546 -1.370371 1.335404
O 0.336726 1.719381 -1.367334
N -0.502624 0.822758 0.579551
N -0.349938 -1.864241 -1.526034
N -2.007711 -2.331600 -0.041582
N -1.584838 -1.652221 -2.044879
N -2.572616 -1.943926 -1.138337
C 1.821317 0.367002 -0.101583
C 2.015500 -0.812563 0.632219
C 0.501367 1.028815 -0.374726
C 2.949800 0.972780 -0.685909
C 3.280844 -1.400068 0.783455
C -1.832489 1.357889 0.512820
C 4.210486 0.399197 -0.524863
C 4.388665 -0.784839 0.203529
C 0.404297 -2.608207 0.800042
C -2.181965 2.401895 -0.359052
C -2.793580 0.800334 1.382664
C -0.598723 -2.288125 -0.250593
C -3.491202 2.888204 -0.350458
C -4.094507 1.301457 1.373179
C -4.448694 2.345888 0.511010
H 2.811488 1.889301 -1.276983
H 3.390075 -2.313036 1.367047
H -0.316363 0.176949 1.364619
H 5.382863 -1.223823 0.319755
H -0.072248 -3.053177 1.702787
H 1.214464 -3.259041 0.420332
H -1.439908 2.829028 -1.040251
H -2.534789 -0.022067 2.046566
H -3.763636 3.700161 -1.024596
H -4.841030 0.871136 2.040472
H -5.465383 2.730764 0.510703
H -1.733866 -1.283768 -2.985244


%chk=000212278-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000212278

0 1
Br 5.803977 1.336521 -1.390916
O 0.752736 -1.204401 1.123192
O 0.695945 2.730742 -0.603129
N -0.577876 1.046605 0.423617
N -0.208743 -3.252369 -1.416428
N -1.910642 -2.548603 -0.038438
N -1.421957 -3.213221 -2.042960
N -2.479735 -2.790658 -1.243327
C 1.821379 0.665212 -0.032413
C 1.905138 -0.659814 0.489197
C 0.597431 1.569944 -0.089653
C 3.000971 1.235991 -0.580354
C 3.126534 -1.371161 0.469207
C -1.866465 1.650485 0.459322
C 4.202556 0.515213 -0.612112
C 4.283855 -0.792079 -0.088458
C 0.428782 -2.646402 0.958911
C -2.115808 2.993847 0.066107
C -2.940948 0.839014 0.920932
C -0.547198 -2.829273 -0.159009
C -3.429099 3.505353 0.150506
C -4.244053 1.367735 0.999702
C -4.497859 2.706453 0.617300
H 2.914062 2.252421 -0.976559
H 3.198860 -2.370852 0.908261
H -0.494785 0.103491 0.830518
H 5.226719 -1.345513 -0.100380
H -0.025535 -2.942800 1.916291
H 1.333943 -3.243514 0.769439
H -1.290034 3.606498 -0.298592
H -2.756842 -0.207783 1.192542
H -3.614458 4.542169 -0.152539
H -5.062349 0.730592 1.353034
H -5.511695 3.116571 0.678721
H -1.546009 -3.466510 -3.023738


