%chk=000218857.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218857

0 1
Br 3.041745 -2.437440 -1.157971
S -6.463130 0.691292 1.022393
O 2.115503 0.369445 -0.485549
N -4.505129 -0.387089 -0.466830
N 3.990875 1.203091 0.662252
C -3.213484 -0.172082 0.265634
C -2.241671 0.585092 -0.655439
C -5.297431 -1.528113 0.088755
C -0.879603 0.769614 0.022520
C -5.369715 0.802846 -0.474492
C -6.150427 -1.085790 1.284229
C 0.106726 1.498508 -0.898229
C 1.472216 1.682896 -0.250248
C 3.365329 0.187401 -0.004886
C 3.968070 -1.080068 -0.229348
C 5.256052 -1.285911 0.255196
C 5.249141 0.969883 1.123887
C 5.909809 -0.251513 0.941342
H -3.346853 0.372103 1.225595
H -2.780522 -1.163687 0.522336
H -2.127675 0.027530 -1.607634
H -2.665796 1.567593 -0.937322
H -5.948706 -1.899884 -0.736470
H -4.625669 -2.369092 0.356743
H -0.453232 -0.216865 0.300339
H -0.999111 1.328291 0.970779
H -6.011314 0.787273 -1.379781
H -4.811680 1.756563 -0.451606
H -5.632817 -1.226861 2.247981
H -7.109734 -1.626952 1.337702
H 0.229878 0.922794 -1.843045
H -0.295297 2.487263 -1.194672
H 2.090668 2.451983 -0.742636
H 1.440722 1.861364 0.837006
H 5.757817 -2.245164 0.104414
H 5.721243 1.806691 1.654257
H 6.915601 -0.398405 1.324999


%chk=000218857-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000218857

0 1
Br 2.847542 -2.682000 -0.580299
S -6.280403 0.613010 1.474668
O 2.064723 0.325244 -0.410463
N -4.586733 -0.323472 -0.518411
N 4.043301 1.218009 0.530432
C -3.225712 -0.213865 0.085174
C -2.281107 0.673139 -0.749817
C -5.363279 -1.504589 -0.071902
C -0.868142 0.755758 -0.131024
C -5.431719 0.828233 -0.322877
C -5.914709 -1.245678 1.373725
C 0.097506 1.618469 -0.973271
C 1.507560 1.710287 -0.389398
C 3.341040 0.150264 0.073673
C 3.889498 -1.166317 0.077584
C 5.191421 -1.359527 0.565141
C 5.308575 1.023533 1.003721
C 5.925396 -0.241505 1.041169
H -3.283526 0.174351 1.129335
H -2.802660 -1.234789 0.134303
H -2.225355 0.259989 -1.775567
H -2.703042 1.694844 -0.841756
H -6.216149 -1.642356 -0.761753
H -4.734275 -2.410182 -0.110781
H -0.442121 -0.261122 -0.032551
H -0.934317 1.173956 0.895417
H -6.268790 0.849169 -1.035499
H -4.877949 1.776462 -0.321987
H -5.169578 -1.498789 2.145636
H -6.845112 -1.806177 1.556694
H 0.159692 1.213810 -2.002092
H -0.296926 2.652145 -1.057457
H 2.170499 2.363477 -0.985052
H 1.510069 2.073680 0.655201
H 5.628189 -2.362411 0.576186
H 5.827645 1.920066 1.359047
H 6.941346 -0.360516 1.427050


