%chk=000188932.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000188932

0 1
Br 4.225352 2.898505 -1.072240
O -0.005347 -1.139855 -1.569518
O 1.390004 1.763181 -1.186610
O 2.187354 -2.414067 1.012051
O 4.755366 -1.749164 1.445073
N -4.174506 -0.308379 0.053278
N -0.482977 -0.776336 0.641327
C -2.770509 0.173662 0.309385
C -2.792082 1.096802 1.554241
C -4.265564 1.233805 1.967772
C -4.997709 0.088689 1.240770
C -1.920631 -1.106359 0.511888
C -4.717900 0.205909 -1.245758
C -5.993599 -0.552972 -1.613477
C 0.364988 -0.806667 -0.455204
C 1.777738 -0.389375 -0.154301
C 2.262729 0.854893 -0.620320
C 2.654483 -1.227991 0.536321
C 4.007349 -0.824271 0.744866
C 3.595786 1.235291 -0.414711
C 4.480422 0.394117 0.277699
C 1.138948 1.551293 -2.608206
H -2.358872 0.733745 -0.566015
H -2.345230 2.077010 1.321042
H -2.194429 0.677015 2.379765
H -4.391968 1.167339 3.059607
H -4.670155 2.214931 1.666205
H -5.067355 -0.810003 1.890791
H -6.030602 0.365499 0.962399
H -2.071329 -1.785777 -0.364368
H -2.253173 -1.667544 1.410351
H -4.912232 1.299588 -1.230787
H -3.947073 0.022808 -2.029503
H -0.157727 -0.463593 1.548663
H -6.825437 -0.312316 -0.943214
H -6.306966 -0.319798 -2.636181
H -5.833492 -1.638511 -1.550944
H 5.516303 0.694330 0.441061
H 2.924081 -2.948564 1.440158
H 0.714985 0.549781 -2.772221
H 2.065361 1.703871 -3.167465
H 0.405838 2.337020 -2.821021
H 5.703278 -1.473243 1.511650


%chk=000188932-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000188932

0 1
Br 4.769894 2.620403 -1.569611
O -0.203429 -0.169007 -1.804784
O 1.732167 1.921274 -1.730707
O 1.769549 -1.856068 1.403177
O 4.354213 -1.564337 1.819238
N -4.302271 -0.220209 0.286963
N -0.538073 -0.792090 0.406527
C -2.880164 0.091736 0.605271
C -2.908364 0.373862 2.124227
C -4.251541 1.119502 2.319423
C -5.197559 0.454133 1.279625
C -1.964290 -1.093199 0.207804
C -4.696862 -0.052830 -1.127524
C -5.974835 -0.839043 -1.476309
C 0.254102 -0.342680 -0.629686
C 1.709200 -0.074407 -0.288739
C 2.417386 0.980930 -0.960684
C 2.418062 -0.862168 0.650665
C 3.805657 -0.671441 0.869720
C 3.802635 1.154163 -0.708373
C 4.511957 0.330375 0.191668
C 1.688365 1.697548 -3.198825
H -2.518332 0.999321 0.061316
H -2.036053 0.961248 2.457566
H -2.917837 -0.585838 2.677172
H -4.636087 1.043963 3.351240
H -4.121370 2.192585 2.086826
H -5.872997 -0.281968 1.757815
H -5.837934 1.217695 0.783782
H -2.107085 -1.333437 -0.859807
H -2.243295 -1.978103 0.808146
H -4.847251 1.029478 -1.378977
H -3.866501 -0.409054 -1.764797
H -0.084201 -1.064225 1.282459
H -6.833555 -0.499150 -0.868646
H -6.238818 -0.702754 -2.541626
H -5.824990 -1.915689 -1.281616
H 5.580952 0.491121 0.364426
H 2.450746 -2.321432 1.959668
H 1.041004 0.829678 -3.402041
H 2.709316 1.554970 -3.599799
H 1.249867 2.619270 -3.609722
H 5.322126 -1.429824 1.951848


