%chk=000234870.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000234870

0 1
Br 4.048016 4.319182 -0.798032
S 1.934932 -2.350353 0.280858
O -5.240244 -0.896159 0.803496
O -3.761523 3.091242 0.817670
O -2.657304 -1.074883 1.764350
O 1.821965 -3.689821 -0.258586
O 2.489005 -2.154490 1.586144
N -2.023689 -1.892202 -0.273534
N 3.014005 -1.626419 -0.900968
N 2.491319 0.532065 -0.161801
C -4.026830 0.928130 -0.335043
C -4.155713 -0.606549 -0.070034
C -3.839653 1.675544 1.012487
C -2.823195 1.179564 -1.253708
C -5.320329 1.407302 -1.001518
C -2.881047 -1.192673 0.570164
C -0.771810 -2.492110 0.240162
C 0.408533 -1.524254 0.088582
C 3.323162 -0.264404 -0.920785
C 4.390724 0.266730 -1.690034
C 4.611272 1.638763 -1.655860
C 2.733158 1.865457 -0.136081
C 3.776546 2.448711 -0.871840
H -4.454376 -1.137293 -1.004542
H -2.948046 1.326705 1.564931
H -4.734506 1.571982 1.657659
H -1.869934 0.941088 -0.770576
H -2.889518 0.602097 -2.181596
H -2.782428 2.235858 -1.553621
H -6.203233 1.018735 -0.472340
H -5.386411 2.504995 -0.970250
H -5.397978 1.094969 -2.045863
H -0.583573 -3.446562 -0.312821
H -0.915181 -2.752975 1.321229
H -2.179962 -1.942385 -1.273389
H 0.345927 -0.978239 -0.877597
H 0.307244 -0.689760 0.829812
H -4.998040 -0.686724 1.743790
H -2.946744 3.323803 0.329621
H 3.589750 -2.241628 -1.492344
H 5.028228 -0.384085 -2.282162
H 5.429269 2.079267 -2.232870
H 2.061111 2.464473 0.495739


%chk=000234870-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000234870

0 1
Br 4.530190 3.909484 1.471366
S 1.862968 -2.431610 -0.791257
O -4.420378 0.192143 2.050276
O -3.476551 3.129698 -0.981706
O -1.802833 -0.363682 1.766204
O 1.839760 -3.626627 -1.895128
O 2.356747 -2.735034 0.724010
N -2.177959 -1.839265 0.013051
N 2.902486 -1.088752 -1.664199
N 2.464815 0.572803 -0.056614
C -4.221534 0.804287 -0.362650
C -4.023206 -0.307895 0.737289
C -3.385589 2.059818 0.025473
C -3.798263 0.287656 -1.761380
C -5.726274 1.174189 -0.384632
C -2.573848 -0.832820 0.867510
C -0.829073 -2.426650 0.076592
C 0.147166 -1.560814 -0.741536
C 3.364065 0.014193 -0.925684
C 4.665685 0.556698 -1.125590
C 5.019830 1.730173 -0.432184
C 2.826290 1.682287 0.638199
C 4.086611 2.296638 0.464160
H -4.703220 -1.148760 0.491418
H -2.325704 1.785248 0.209868
H -3.799000 2.506228 0.943336
H -2.702044 0.167051 -1.858664
H -4.277594 -0.684375 -1.992121
H -4.138444 0.994236 -2.539400
H -6.087017 1.368611 0.639550
H -5.873955 2.083608 -0.993208
H -6.333585 0.357027 -0.818865
H -0.871805 -3.457150 -0.317358
H -0.505463 -2.455511 1.130587
H -2.834440 -2.182725 -0.689793
H -0.108762 -1.475137 -1.809136
H 0.382369 -0.588575 -0.279933
H -3.574310 0.372647 2.552054
H -2.917486 2.889456 -1.762288
H 3.577669 -1.576825 -2.272526
H 5.378102 0.078086 -1.804791
H 6.006731 2.179844 -0.572896
H 2.089753 2.082792 1.341495


