%chk=000064003.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000064003

0 1
 Br   5.927200     -5.4200001E-02   3.250800    
 Cl   1.714300      -3.132000      0.5700000    
 S   -4.203000       2.477700      0.3180000    
 S   -1.187200       2.089800      0.4655000    
 O   -6.330900      0.3968000       1.219500    
 O   0.8950000      0.9939000       1.519800    
 N   0.9145000       1.101500     -0.8341000    
 N   -2.932700      -1.008700       1.042500    
 N    2.939900      0.7246000      -2.004600    
 N   -1.323000      0.9428000      -1.821700    
 N   -2.621600       1.303100      -1.506900    
 C   -4.990300      0.1885000       1.661100    
 C   -4.285600     -0.7040000      0.6352000    
 C   -4.278200       1.529400       1.861000    
 C    2.935200      0.6579000      0.4438000    
 C    3.594300      0.5340000     -0.7813000    
 C    1.673300       1.009600      -1.999000    
 C    1.485600      0.9524000      0.4436000    
 C   -2.062100      -1.783900      0.2948000    
 C  -0.4834000       1.295900     -0.8781000    
 C    3.625900      0.4826000       1.648700    
 C    4.961100      0.2319000     -0.7861000    
 C   -2.690400       1.909100     -0.3409000    
 C    1.053100       1.302200      -3.350000    
 C    4.987300      0.1832000       1.628300    
 C    5.654600      5.6699999E-02  0.4122000    
 C  -0.7551000      -2.045200      0.7479000    
 C   -2.460800      -2.332900     -0.9388000    
 C   0.1212000      -2.826900     -5.1000002E-03
 C   -1.584700      -3.114400      -1.691800    
 C  -0.2937000      -3.361600      -1.224900    
 H   -5.040700     -0.3229000       2.630100    
 H   -4.854500      -1.642500      0.5767000    
 H   -4.345100     -0.2832000     -0.3727000    
 H   -4.876300       2.135500       2.551300    
 H   -3.296700       1.407900       2.326100    
 H   -2.610100     -0.6916000       1.949900    
 H    3.107900      0.5761000       2.600000    
 H    5.496200      0.1344000      -1.727700    
 H   0.4312000      0.4565000      -3.656200    
 H    1.834300       1.441500      -4.103700    
 H   0.4487000       2.212200      -3.310700    
 H   -6.759800     -0.4738000       1.158700    
 H    6.715700     -0.1766000      0.3784000    
 H  -0.4292000      -1.630900       1.700500    
 H   -3.456600      -2.168700      -1.341200    
 H   -1.907100      -3.530700      -2.641700    
 H   0.3785000      -3.971800      -1.822500    


%chk=000064003-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000064003

0 1
Br 6.068569 -0.707508 3.146221
Cl 1.708686 -3.175723 0.527481
S -4.439518 2.226591 -0.321541
S -1.299739 2.318176 0.253409
O -6.495795 0.378363 1.443658
O 0.908544 0.655817 1.458930
N 1.073324 1.186183 -0.839429
N -3.005383 -1.005711 1.106290
N 3.200592 1.240682 -1.974604
N -1.063857 0.709901 -1.870433
N -2.439539 0.955051 -1.751946
C -5.057958 0.266406 1.715513
C -4.432102 -0.838476 0.837682
C -4.496184 1.677998 1.506615
C 3.092719 0.564282 0.407948
C 3.821817 0.784815 -0.799999
C 1.895997 1.430025 -1.993676
C 1.640802 0.785935 0.439142
C -2.202802 -1.897454 0.379322
C -0.337522 1.305415 -0.922519
C 3.752801 0.123319 1.584207
C 5.223927 0.553672 -0.812874
C -2.748620 1.745013 -0.722715
C 1.243045 1.946637 -3.248835
C 5.134570 -0.095172 1.537440
C 5.881628 0.113895 0.346960
C -0.840612 -2.080616 0.763584
C -2.707721 -2.619909 -0.740664
C -0.043871 -2.965938 0.026598
C -1.865620 -3.497534 -1.453774
C -0.515776 -3.693581 -1.083596
H -4.895462 0.011449 2.791314
H -4.994030 -1.786782 1.022194
H -4.592178 -0.564151 -0.223016
H -5.161366 2.405244 1.999078
H -3.478178 1.779185 1.913315
H -2.640589 -0.683570 2.003409
H 3.164693 -0.039201 2.491201
H 5.770722 0.726735 -1.743838
H 0.590368 1.183621 -3.704420
H 2.043820 2.216349 -3.951323
H 0.612893 2.831913 -3.047458
H -6.915721 -0.518261 1.483778
H 6.960256 -0.066417 0.337393
H -0.412999 -1.511874 1.595690
H -3.743154 -2.489115 -1.065638
H -2.265274 -4.040362 -2.317388
H 0.137998 -4.374113 -1.633986


