%chk=000189495.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000189495

0 1
Br -5.998687 -0.983925 0.559898
S 4.425506 1.355368 0.273757
O 0.403245 -1.113498 1.630776
O 0.623280 -3.513646 -0.523906
O 2.885778 -2.859905 0.359555
O 2.779638 0.946861 0.293541
O 4.529770 2.460263 -0.621843
O 4.849622 1.374633 1.643489
N -0.891162 -0.235539 -0.148434
N -1.098784 1.861834 -1.079473
N -3.335881 -0.699326 0.248269
N -4.774356 1.155573 -0.495839
N -3.919463 3.141863 -1.466786
N 5.072913 -0.009312 -0.483140
C 0.738701 -2.102599 -0.528076
C 2.125289 -1.689438 0.046129
C -0.301161 -1.454487 0.431150
C 1.839272 -1.018338 1.404891
C 2.209311 0.468795 1.520218
C -2.260616 0.058775 -0.167119
C -0.232533 0.919480 -0.709522
C -2.376201 1.366547 -0.760253
C -3.687885 1.913956 -0.917969
C -4.499787 -0.057463 0.036514
H 0.588603 -1.835064 -1.596664
H 2.711031 -1.056694 -0.655259
H -1.119008 -2.148955 0.766202
H 2.269054 -1.615828 2.245971
H 2.879700 0.658705 2.383646
H 1.287486 1.082044 1.652173
H 0.787732 -3.875658 0.388302
H 2.874472 -3.485839 -0.408669
H 0.851230 0.970140 -0.794187
H -3.148792 3.718056 -1.772392
H -4.859232 3.498529 -1.556732
H 5.490339 -0.762609 0.058424
H 5.489174 0.056500 -1.408041


%chk=000189495-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000189495

0 1
Br -5.959788 -1.495820 0.985397
S 5.234144 0.403539 1.090257
O 0.514177 -0.763826 1.509911
O 0.951547 -3.265565 -0.161320
O 3.187750 -1.921510 -0.680088
O 3.572049 1.174228 0.494623
O 6.336055 1.571891 1.137176
O 4.847714 -0.489147 2.381171
N -1.021293 -0.052795 -0.276126
N -1.552214 1.927975 -1.318424
N -3.304812 -0.792417 0.354124
N -5.024700 0.796796 -0.356994
N -4.545210 2.801206 -1.504980
N 5.609006 -0.642280 -0.261754
C 0.707092 -1.875852 -0.590861
C 2.030494 -1.077376 -0.390667
C -0.295559 -1.170365 0.343661
C 1.951566 -0.620938 1.097675
C 2.416563 0.832435 1.339257
C -2.417371 0.076171 -0.204918
C -0.560849 1.098603 -0.956022
C -2.722109 1.297837 -0.854841
C -4.103658 1.653045 -0.916353
C -4.575952 -0.339198 0.224245
H 0.370543 -1.940776 -1.634930
H 2.106999 -0.218975 -1.075849
H -1.081549 -1.851856 0.715456
H 2.541295 -1.306434 1.731885
H 2.635509 0.997986 2.409119
H 1.640433 1.554274 1.022189
H 0.811365 -3.347705 0.818880
H 2.903392 -2.864627 -0.507269
H 0.490681 1.287278 -1.156627
H -3.878078 3.449609 -1.918839
H -5.543742 3.001490 -1.515416
H 4.790416 -1.241730 -0.534706
H 6.145692 -0.155376 -0.989439


