%chk=000218790.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218790

0 1
Br 7.146484 0.834372 -0.000443
S -8.642960 -0.128107 0.121489
O 1.402979 -0.810312 0.028280
N -4.610347 0.443475 -0.049152
N 3.000336 0.917746 -0.042620
C -2.146333 0.330612 -0.089781
C -0.920582 -0.583250 -0.008731
C -3.444331 -0.493545 -0.066255
C 0.363075 0.239103 -0.028939
C -5.913785 -0.295115 -0.046025
C -7.041417 0.728394 0.059132
C 2.698421 -0.413458 0.021054
C 3.666817 -1.447938 0.081339
C 5.002551 -1.073030 0.074948
C 4.317019 1.258254 -0.047339
C 5.331570 0.292513 0.009938
H -2.102029 0.951200 -1.005853
H -2.152150 1.046808 0.758984
H -0.912289 -1.308772 -0.847946
H -0.952533 -1.202293 0.911706
H -3.465236 -1.204144 -0.920715
H -3.484673 -1.107427 0.861778
H 0.508387 0.816665 -0.956864
H 0.486980 0.893356 0.850102
H -4.567446 1.063158 -0.866138
H -5.920725 -0.973098 0.837925
H -6.052580 -0.941622 -0.941591
H -6.903599 1.385172 0.940662
H -7.072875 1.399801 -0.821907
H 3.350890 -2.486674 0.130523
H -8.590164 -0.617043 1.377731
H 5.788958 -1.830800 0.120029
H 4.535788 2.333998 -0.098622


%chk=000218790-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000218790

0 1
Br 7.210365 1.105853 0.000054
S -8.810280 0.131505 0.124911
O 1.471329 -0.944396 0.032350
N -4.637670 0.404180 -0.124784
N 2.998100 0.866858 -0.050868
C -2.155762 0.233639 -0.079092
C -0.935931 -0.714630 -0.023957
C -3.492989 -0.532269 -0.067722
C 0.378488 0.065762 -0.038498
C -5.973067 -0.229463 -0.063532
C -7.054022 0.849574 0.114353
C 2.771596 -0.469920 0.024886
C 3.811101 -1.437654 0.098892
C 5.139982 -0.981160 0.092388
C 4.291123 1.304851 -0.056978
C 5.378054 0.413451 0.012823
H -2.098694 0.857444 -0.996666
H -2.143866 0.931528 0.780154
H -0.954055 -1.410676 -0.884622
H -0.979327 -1.333214 0.893124
H -3.497903 -1.277101 -0.904070
H -3.575223 -1.112337 0.873109
H 0.502895 0.662048 -0.961718
H 0.469137 0.751061 0.824789
H -4.559444 1.038095 -0.933517
H -5.985235 -0.908222 0.812175
H -6.220065 -0.853688 -0.956220
H -6.887294 1.423193 1.039171
H -7.062637 1.552838 -0.737025
H 3.565993 -2.500632 0.158814
H -8.676854 -0.566375 1.315065
H 5.971853 -1.688891 0.147898
H 4.444504 2.386748 -0.118990


