%chk=000256528.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000256528

0 1
Br 7.053070 1.064969 -0.551707
O -1.681516 1.880902 -1.157323
N 0.269556 0.183430 -0.163596
N -1.071217 -0.067064 -0.026492
N -6.069717 -0.409546 -0.053873
C 1.169355 -0.590127 0.379891
C 0.938203 -1.824819 1.221084
C 2.581637 -0.185791 0.142694
C 3.529704 -1.147151 -0.244488
C 2.969984 1.154258 0.304447
C 0.548191 -3.028511 0.368446
C 4.860184 -0.777056 -0.454363
C 4.300157 1.530598 0.097135
C 5.229767 0.558310 -0.275822
C -3.408935 0.392872 -0.391821
C -1.988671 0.861213 -0.596484
C -4.101073 0.744273 0.770442
C -4.043468 -0.355340 -1.387214
C -5.436208 0.322316 0.898277
C -5.380724 -0.735912 -1.177376
H 1.852593 -2.060905 1.807982
H 0.162830 -1.622498 1.988995
H 3.229725 -2.184758 -0.390891
H 2.227198 1.907499 0.578338
H -0.371849 -2.858803 -0.201706
H 1.331377 -3.273914 -0.361643
H 0.392491 -3.919038 0.990050
H 5.594364 -1.524888 -0.756585
H 4.597661 2.573040 0.222259
H -1.416646 -0.908159 0.450534
H -3.629190 1.340187 1.549974
H -3.525548 -0.625000 -2.306608
H -6.028775 0.573396 1.787104
H -5.929407 -1.320182 -1.926960


%chk=000256528-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000256528

0 1
Br 7.155658 1.062768 -0.643204
O -1.727267 1.674402 -1.486750
N 0.281575 0.216411 -0.189295
N -1.062612 -0.067614 -0.050440
N -6.202742 -0.289179 0.022112
C 1.176281 -0.562130 0.405771
C 0.829397 -1.792117 1.238733
C 2.598010 -0.190273 0.170112
C 3.672741 -0.972900 0.674593
C 2.913825 0.974537 -0.590307
C 0.743580 -3.083937 0.377062
C 5.017146 -0.610579 0.437733
C 4.247722 1.348678 -0.831607
C 5.291025 0.549422 -0.312041
C -3.448515 0.342475 -0.410746
C -2.018646 0.732469 -0.703962
C -3.875614 -0.286790 0.787621
C -4.433709 0.668709 -1.375592
C -5.248933 -0.578078 0.955599
C -5.780256 0.331728 -1.122469
H 1.581266 -1.927985 2.034463
H -0.128263 -1.641973 1.778102
H 3.483073 -1.880614 1.256111
H 2.090076 1.575171 -0.986523
H -0.018214 -2.991319 -0.417872
H 1.709326 -3.292322 -0.115232
H 0.482410 -3.954498 1.004718
H 5.832567 -1.223556 0.831622
H 4.473215 2.246411 -1.414037
H -1.388481 -0.888667 0.476428
H -3.181628 -0.511999 1.605675
H -4.135958 1.182782 -2.294123
H -5.610371 -1.054583 1.873828
H -6.562582 0.562951 -1.853382


