%chk=000215658.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000215658

0 1
Br 5.364492 0.387967 0.053584
S -4.171653 0.122571 -1.341782
O -0.677679 0.317645 0.480199
O -1.094758 0.051082 -1.744833
C 0.657978 -2.237415 0.134802
C 1.403053 -0.920057 0.186857
C 0.717865 0.302626 0.288424
C 1.309450 -3.293957 1.033889
C 0.568804 -2.712042 -1.320064
C 2.801238 -0.852867 0.112091
C 2.756100 1.596119 0.255656
C 1.355537 1.544100 0.319916
C 3.454957 0.380098 0.151042
C 3.466466 2.904475 0.292533
C -1.521489 0.188662 -0.626684
C -2.899691 0.250082 -0.172970
C -3.413836 0.401142 1.090839
C -4.850128 0.411877 1.104966
C -5.402037 0.270318 -0.138958
H -0.384837 -2.065070 0.515119
H 2.292341 -3.604065 0.662588
H 0.688246 -4.194887 1.090588
H 1.444747 -2.919476 2.055034
H 0.095449 -1.946553 -1.955132
H -0.023834 -3.627781 -1.406159
H 1.557105 -2.915083 -1.745796
H 3.375101 -1.778764 0.020389
H 0.762789 2.454083 0.395885
H 4.163912 2.959587 1.144019
H 4.066412 3.059738 -0.619329
H 2.783694 3.759673 0.377799
H -2.810001 0.502140 1.987227
H -5.413922 0.522543 2.022412
H -6.449469 0.246989 -0.396848


%chk=000215658-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000215658

0 1
Br 5.428284 0.392284 -0.144882
S -4.280700 0.081738 -1.369509
O -0.708309 0.324655 0.546712
O -1.164657 -0.039183 -1.739122
C 0.682630 -2.278691 0.042260
C 1.393945 -0.926688 0.121277
C 0.712709 0.296603 0.322006
C 1.236068 -3.280167 1.089598
C 0.767086 -2.860845 -1.394813
C 2.803318 -0.841958 -0.014257
C 2.786424 1.622643 0.266782
C 1.379138 1.533945 0.398029
C 3.466973 0.395219 0.057207
C 3.490999 2.960037 0.346162
C -1.571670 0.158171 -0.572650
C -2.967484 0.257493 -0.141517
C -3.486593 0.482250 1.133005
C -4.921185 0.519206 1.164572
C -5.497882 0.322928 -0.085955
H -0.385395 -2.113475 0.277428
H 2.298572 -3.520281 0.898852
H 0.667921 -4.227449 1.045550
H 1.157562 -2.876274 2.115062
H 0.337755 -2.154821 -2.126009
H 0.210261 -3.814184 -1.455714
H 1.817041 -3.062112 -1.678910
H 3.382436 -1.755894 -0.175722
H 0.790080 2.442220 0.560368
H 4.230792 2.976115 1.167717
H 4.047682 3.174268 -0.584766
H 2.769415 3.776823 0.513170
H -2.841846 0.614162 2.003799
H -5.505066 0.684276 2.072662
H -6.553901 0.302489 -0.351090


