%chk=000201314.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000201314

0 1
Br -4.369090 -3.591138 0.126845
S -3.886409 -0.551600 -0.655845
N -1.212261 2.447324 0.190482
N 2.433843 1.379247 0.102634
N 1.568208 -0.754616 0.704819
C 0.028007 1.933516 -0.472883
C 1.161178 1.986188 0.577307
C -2.453620 1.818744 -0.376884
C -1.301607 3.933986 0.082749
C -2.575748 0.397335 0.039740
C 2.536883 -0.027652 0.040272
C 3.131152 2.155015 -0.955683
C -1.861928 -0.362844 0.910809
C 3.645033 -0.668107 -0.579845
C -2.350114 -1.719721 1.039097
C -3.433845 -1.976515 0.260674
C 3.756010 -2.051681 -0.486577
C 1.712962 -2.099352 0.776788
C 2.785437 -2.792383 0.197359
H 0.307018 2.495271 -1.386252
H -0.120206 0.874260 -0.787615
H 0.834160 1.452205 1.504815
H 1.374058 3.033120 0.881333
H -2.509508 1.904360 -1.488157
H -3.332912 2.383068 0.027760
H -0.394605 4.380925 0.521422
H -2.152667 4.286319 0.689153
H -1.416909 4.321672 -0.939810
H 2.797293 1.901465 -1.974631
H 4.219253 1.975797 -0.887257
H 2.971997 3.234194 -0.797379
H -0.989038 -0.018471 1.463463
H 4.401641 -0.093221 -1.101687
H -1.873070 -2.431092 1.702121
H 4.602155 -2.560445 -0.949925
H 0.919706 -2.628534 1.319291
H 2.856740 -3.871038 0.276096


%chk=000201314-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000201314

0 1
Br -4.443554 -3.676090 -0.001070
S -3.867610 -0.626717 -0.918270
N -1.266884 2.418567 0.157542
N 2.380859 1.327004 -0.170315
N 1.692126 -0.790104 0.606980
C -0.058939 1.842562 -0.481420
C 1.175365 1.907098 0.453447
C -2.534447 1.870968 -0.378836
C -1.269990 3.895519 0.183514
C -2.748926 0.435017 0.045184
C 2.621264 -0.041664 -0.081963
C 3.270185 2.184333 -0.961676
C -2.233361 -0.251665 1.130570
C 3.779448 -0.647078 -0.673114
C -2.693251 -1.616762 1.250581
C -3.572185 -1.974748 0.246475
C 3.961149 -2.034242 -0.534101
C 1.899536 -2.128960 0.724779
C 3.009874 -2.807546 0.177380
H 0.172637 2.350100 -1.452682
H -0.251184 0.777116 -0.693487
H 0.939746 1.338302 1.366729
H 1.405007 2.950978 0.737493
H -2.597999 1.948407 -1.495331
H -3.359833 2.495119 0.019829
H -0.362224 4.268843 0.687426
H -2.141210 4.257762 0.757830
H -1.308619 4.354848 -0.836733
H 3.317292 1.870835 -2.024541
H 4.303871 2.188379 -0.559857
H 2.892516 3.218742 -0.930760
H -1.523355 0.212989 1.816691
H 4.514424 -0.050163 -1.218800
H -2.381375 -2.296716 2.045553
H 4.841711 -2.511433 -0.978967
H 1.126866 -2.675472 1.279734
H 3.120267 -3.888531 0.298785


