%chk=000191379.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000191379

0 1
Br -0.000875 1.502736 1.653697
S 0.001301 1.330733 -1.893892
P 0.000453 0.345953 -0.228664
C -1.489067 -0.783807 0.012333
C 1.490034 -0.783348 0.014070
C -2.790777 0.012176 -0.056608
C 2.791582 0.013061 -0.052950
C -4.002932 -0.920670 0.110057
C 4.003795 -0.919379 0.115568
C -5.315563 -0.144142 0.048107
C 5.316297 -0.142557 0.054541
H -1.478061 -1.562990 -0.780367
H -1.411285 -1.322673 0.977154
H 1.411128 -1.322477 0.978656
H 1.480340 -1.562341 -0.778836
H -2.830771 0.796278 0.728748
H -2.882409 0.550306 -1.026686
H 2.884458 0.551182 -1.022913
H 2.830173 0.797211 0.732430
H -3.992072 -1.697735 -0.679309
H -3.934586 -1.463105 1.072945
H 3.934551 -1.461224 1.078726
H 3.993984 -1.696944 -0.673316
H -6.177095 -0.812052 0.160816
H -5.379594 0.609890 0.841262
H -5.431265 0.379443 -0.908695
H 6.177873 -0.810164 0.168691
H 5.432940 0.380383 -0.902500
H 5.379242 0.612054 0.847234


%chk=000191379-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000191379

0 1
Br -0.001349 1.581909 2.017874
S 0.001453 1.471662 -1.852156
P 0.000405 0.330707 -0.121974
C -1.524524 -0.750399 0.124150
C 1.525344 -0.749894 0.126303
C -2.851602 0.013046 -0.034437
C 2.852388 0.013949 -0.030629
C -4.067553 -0.939613 0.065639
C 4.068496 -0.938382 0.070666
C -5.408145 -0.189787 -0.087070
C 5.409049 -0.188137 -0.080319
H -1.442179 -1.554122 -0.634223
H -1.431772 -1.196995 1.130858
H 1.431413 -1.196416 1.132932
H 1.444233 -1.553718 -0.632100
H -2.926944 0.793747 0.747072
H -2.864441 0.533193 -1.012269
H 2.866202 0.534272 -1.008355
H 2.926612 0.794533 0.751102
H -3.988419 -1.720741 -0.717868
H -4.046390 -1.466856 1.040931
H 4.046341 -1.465853 1.045812
H 3.990500 -1.719350 -0.713114
H -6.265956 -0.882572 -0.012865
H -5.524675 0.579092 0.699232
H -5.468138 0.320363 -1.066417
H 6.266976 -0.880687 -0.005259
H 5.470031 0.322232 -1.059491
H 5.524441 0.580616 0.706275


