%chk=000294808.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000294808

0 1
Br -4.610659 3.004511 -0.619684
Br -3.166239 1.239268 -2.793050
S 1.531661 1.690823 0.461959
O -2.950225 1.293208 1.279746
O 0.854967 1.413456 1.717759
O 1.963932 3.046939 0.184997
O -2.058340 -3.699006 -0.448995
N 0.449271 1.291261 -0.849701
C -2.292234 1.246948 0.051804
C -1.690004 2.546948 -0.520102
C -3.021309 2.025962 -1.050420
C -0.406167 2.420485 -1.321471
C -1.588617 -0.028273 -0.278481
C -0.249823 0.033054 -0.722379
C -2.249569 -1.253191 -0.166941
C -2.070781 1.146710 2.452670
C 0.422643 -1.152233 -1.080676
C -1.554711 -2.418696 -0.511532
C -0.220908 -2.378502 -0.970776
C 2.832360 0.586775 0.255414
C -2.969304 1.553074 3.601952
C 3.794554 0.813391 -0.736011
C 2.943639 -0.530166 1.093381
C 4.854576 -0.077396 -0.900813
C 4.001333 -1.423602 0.933971
C -3.437029 -3.859586 -0.033208
C 4.965111 -1.204555 -0.067098
C 6.105624 -2.150846 -0.230770
H -1.729962 3.455635 0.101250
H -0.614600 2.255102 -2.406294
H 0.185302 3.368780 -1.271422
H -3.281758 -1.270926 0.179573
H -1.750855 0.092786 2.494724
H -1.185461 1.801213 2.332307
H 1.447158 -1.104455 -1.454369
H 0.277629 -3.307796 -1.241085
H -2.436949 1.492206 4.557966
H -3.329704 2.583711 3.477046
H -3.860173 0.914316 3.660210
H 3.720976 1.695211 -1.382385
H 2.198252 -0.700642 1.880401
H 5.600197 0.104597 -1.672958
H 4.082627 -2.289704 1.588685
H -3.562886 -4.948410 -0.094408
H -4.107251 -3.347479 -0.730255
H -3.568051 -3.505774 0.993477
H 5.847907 -3.178536 0.062145
H 6.472916 -2.196198 -1.265811
H 6.957731 -1.843799 0.397361


%chk=000294808-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000294808

0 1
Br -4.479182 3.324325 -0.950558
Br -3.036068 1.334494 -3.128832
S 1.543170 1.213706 0.683815
O -3.155102 1.370175 1.094170
O 0.871313 0.444394 1.977960
O 1.848385 2.833959 0.731405
O -2.736924 -3.726764 -0.107882
N 0.347044 0.858381 -1.181047
C -2.420644 1.255875 -0.123538
C -1.603898 2.470842 -0.673942
C -2.953759 2.105240 -1.291329
C -0.272519 2.194651 -1.379859
C -1.840640 -0.100222 -0.398050
C -0.499289 -0.225844 -0.889446
C -2.612740 -1.245055 -0.126240
C -2.288817 1.455341 2.312648
C 0.040010 -1.538662 -1.075571
C -2.059445 -2.532423 -0.334892
C -0.723641 -2.676059 -0.810543
C 3.172588 0.343631 0.334404
C -3.228192 1.488106 3.513227
C 4.158720 1.030791 -0.392283
C 3.343016 -0.964529 0.816517
C 5.375980 0.362235 -0.646384
C 4.570141 -1.611176 0.548689
C -4.122284 -3.654269 0.380351
C 5.599511 -0.962504 -0.183607
C 6.925831 -1.654997 -0.438674
H -1.629300 3.377976 -0.060903
H -0.391504 2.300814 -2.477417
H 0.471451 2.947532 -1.054804
H -3.626059 -1.106257 0.261026
H -1.596688 0.593664 2.337647
H -1.677311 2.377006 2.246089
H 1.065123 -1.623613 -1.450710
H -0.328261 -3.684222 -0.963483
H -2.640778 1.586566 4.443967
H -3.923331 2.342761 3.444052
H -3.823791 0.560377 3.572941
H 3.985906 2.057988 -0.728500
H 2.549147 -1.444099 1.398421
H 6.162896 0.877497 -1.209373
H 4.729632 -2.631188 0.917086
H -4.445981 -4.700518 0.472852
H -4.768804 -3.121135 -0.341510
H -4.169312 -3.156430 1.366870
H 6.814938 -2.752893 -0.457804
H 7.371259 -1.337351 -1.397475
H 7.654998 -1.411518 0.358223


