%chk=000202062.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000202062

0 1
Br 4.212007 -3.002775 -0.277345
S 1.306880 2.609622 0.692886
O -5.074182 -1.441294 1.534631
N -2.328532 0.041870 -0.484139
C -1.060166 -0.606243 -0.008588
C 0.008807 0.424569 0.209235
C -3.505547 -0.841679 -0.218641
C -2.223818 0.422578 -1.933356
C 1.428899 0.060279 0.199174
C 2.269562 1.171588 0.451411
C -0.198840 1.739320 0.462408
C -3.983797 -0.564799 1.218864
C -3.310386 1.437942 -2.286791
C 2.009941 -1.199884 -0.019284
C 3.658957 1.062744 0.489150
C 3.396709 -1.297104 0.019789
C 4.228227 -0.190562 0.269472
H -0.697452 -1.400728 -0.700319
H -1.255891 -1.110335 0.970110
H -3.297824 -1.925692 -0.344457
H -4.325059 -0.607059 -0.932064
H -1.223921 0.888493 -2.094229
H -2.278771 -0.453875 -2.614006
H -1.148119 2.252878 0.523095
H -4.288296 0.486208 1.358649
H -3.224539 -0.830751 1.977624
H -4.312633 0.995971 -2.268174
H -3.313710 2.274238 -1.574474
H -3.146214 1.852842 -3.287322
H 1.384880 -2.071421 -0.211441
H 4.286261 1.931648 0.685472
H 5.312484 -0.310384 0.292274
H -5.868716 -1.204403 1.020387


%chk=000202062-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000202062

0 1
Br 4.304182 -3.074228 -0.149043
S 1.304373 2.692860 0.657662
O -5.038701 -1.519088 1.669015
N -2.347736 -0.005195 -0.552546
C -1.068445 -0.621395 -0.126839
C 0.031746 0.394444 0.123426
C -3.520615 -0.841537 -0.196142
C -2.320183 0.437824 -1.974907
C 1.449627 0.053428 0.181202
C 2.285769 1.181847 0.461571
C -0.196165 1.733416 0.355956
C -3.976290 -0.587379 1.257136
C -3.355298 1.534699 -2.282900
C 2.057858 -1.220666 -0.000103
C 3.686095 1.068296 0.560391
C 3.453351 -1.318410 0.100772
C 4.279389 -0.199077 0.377244
H -0.708937 -1.376544 -0.872172
H -1.248705 -1.185041 0.809641
H -3.322300 -1.932489 -0.321388
H -4.355190 -0.591586 -0.878599
H -1.310062 0.840608 -2.171528
H -2.462847 -0.426838 -2.670098
H -1.163174 2.232596 0.371165
H -4.289218 0.470776 1.369884
H -3.154336 -0.781145 1.966100
H -4.391701 1.190437 -2.111694
H -3.180209 2.417320 -1.642864
H -3.279718 1.847086 -3.340767
H 1.449698 -2.104918 -0.210369
H 4.314976 1.937724 0.775099
H 5.363845 -0.316984 0.448642
H -5.853878 -1.337040 1.137054


