%chk=000270924.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000270924

0 1
Br 3.265654 -1.792757 -1.453776
S 1.378270 0.805851 1.085043
O -4.345130 -0.442089 1.082539
O -2.775288 4.008989 -1.523329
N -1.335906 0.296508 0.937476
N -0.663233 2.231820 -0.089811
N -4.748249 1.349846 -0.257639
N -4.363020 2.654502 -0.656749
C -2.470813 0.917171 0.428941
C -1.315710 -1.002167 1.645036
C -0.258703 1.129924 0.605410
C -2.031082 2.107029 -0.208113
C -1.181720 -2.140842 0.661699
C -3.877385 0.528254 0.512036
C -2.979212 3.003288 -0.884558
C 2.283131 1.129267 -0.470243
C 0.085239 -2.613206 0.293637
C -2.336156 -2.731357 0.127232
C 3.693595 0.769215 -0.157488
C 0.194022 -3.680137 -0.603057
C -2.219964 -3.795951 -0.769621
C -0.956021 -4.272086 -1.134738
C 4.269668 -0.460157 -0.513825
C 4.494672 1.702720 0.529009
C 5.599302 -0.760376 -0.203135
C 5.821528 1.410413 0.845176
C 6.375947 0.178849 0.479611
H -2.269315 -1.103052 2.230291
H -0.482658 -1.009528 2.387942
H 2.167996 2.199641 -0.753697
H 1.841901 0.555893 -1.311378
H -5.750022 1.304185 -0.002351
H -5.027643 3.047424 -1.347464
H 0.987908 -2.151397 0.697175
H -3.325101 -2.357238 0.411585
H 1.178644 -4.050621 -0.885094
H -3.116397 -4.254860 -1.184434
H -0.868340 -5.103039 -1.832878
H 4.069138 2.666227 0.817474
H 6.034028 -1.720045 -0.489605
H 6.427266 2.144117 1.377592
H 7.412762 -0.049527 0.725078


%chk=000270924-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000270924

0 1
Br 5.542586 -1.550984 -0.161232
S 1.761736 -1.273472 -0.649697
O -3.372446 0.045973 1.985447
O -0.980245 3.906715 -1.228374
N -0.676830 -0.466151 0.482375
N 0.299634 1.115266 -0.854667
N -3.277710 2.140676 0.977651
N -2.667945 3.116903 0.155453
C -1.515147 0.652978 0.490056
C -0.899529 -1.763032 1.189623
C 0.400591 -0.136043 -0.347915
C -0.889337 1.613370 -0.332826
C -1.632823 -2.800827 0.343855
C -2.761781 0.861143 1.215268
C -1.450318 2.953882 -0.542801
C 2.972570 -0.037442 -1.504651
C -0.912796 -3.773128 -0.394596
C -3.051124 -2.805546 0.302389
C 3.775120 0.785355 -0.535067
C -1.598778 -4.729358 -1.177094
C -3.735219 -3.761742 -0.480212
C -3.011814 -4.723625 -1.223971
C 4.933663 0.303394 0.129187
C 3.390136 2.131816 -0.278682
C 5.686106 1.104604 1.010026
C 4.130171 2.950383 0.599687
C 5.278353 2.438233 1.244880
H -1.481274 -1.523010 2.094005
H 0.099113 -2.129840 1.488256
H 2.328219 0.588902 -2.137818
H 3.588773 -0.711299 -2.119129
H -4.155032 2.398126 1.435548
H -3.140957 4.020926 0.086934
H 0.183153 -3.784577 -0.358615
H -3.604928 -2.063985 0.890130
H -1.033458 -5.476946 -1.744464
H -4.830733 -3.761176 -0.505171
H -3.544371 -5.465873 -1.829264
H 2.490418 2.512028 -0.774375
H 6.574776 0.699398 1.502229
H 3.811984 3.982854 0.777046
H 5.861096 3.065833 1.927576


