%chk=000265158.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000265158

0 1
Br -3.758987 -4.231702 0.593327
S 0.920961 2.736139 0.855282
S -1.380009 1.607434 -0.646393
O -0.428584 1.500337 -1.763924
O -2.472671 2.548413 -0.801812
N -0.468704 1.970083 0.700662
C 3.748624 -0.019011 -0.315345
C 2.697537 0.716857 0.531367
C 4.295819 -1.248888 0.420449
C 2.160307 1.937373 -0.205208
C 5.342937 -1.987951 -0.424856
C 5.890896 -3.214076 0.301620
C 0.808227 4.306053 -0.024265
C -2.029368 0.029331 -0.303153
C -2.906985 -0.149448 0.767546
C -1.664191 -1.051227 -1.110097
C -3.428162 -1.420640 1.041357
C -2.178087 -2.326235 -0.850034
C -3.053543 -2.489419 0.225991
H 3.302022 -0.325581 -1.282152
H 4.577747 0.667632 -0.571829
H 3.143848 1.009508 1.503077
H 1.868423 0.018080 0.774236
H 4.741234 -0.946704 1.387651
H 3.466951 -1.937995 0.674357
H 2.968719 2.644643 -0.454499
H 1.712258 1.637407 -1.185784
H 6.174421 -1.302142 -0.679842
H 4.897443 -2.295028 -1.391645
H 6.636033 -3.735966 -0.309469
H 6.374441 -2.942255 1.246721
H 5.097618 -3.933583 0.535028
H -0.074842 4.868405 0.314508
H 0.699733 4.204503 -1.113104
H 1.686574 4.928033 0.167975
H -3.193679 0.698101 1.399072
H -0.974838 -0.901689 -1.951141
H -4.114224 -1.562476 1.876858
H -1.897199 -3.170116 -1.480532


%chk=000265158-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000265158

0 1
Br -6.000813 -3.079154 0.673450
S 0.917859 2.510175 1.249277
S -0.715039 0.682962 -0.552271
O 0.450801 -0.308894 -1.152491
O -1.193266 1.936222 -1.510784
N -0.346112 1.232416 1.212138
C 4.127644 0.182082 -0.340405
C 3.048997 0.688954 0.649861
C 4.843953 -1.090121 0.167757
C 2.412185 1.974111 0.121521
C 5.912727 -1.610506 -0.819810
C 6.629148 -2.881419 -0.314132
C 0.320970 4.032349 0.237501
C -2.219633 -0.382600 -0.175632
C -3.483664 0.227476 -0.172140
C -2.020764 -1.753309 0.050049
C -4.615641 -0.580592 0.078983
C -3.153139 -2.560860 0.302835
C -4.430524 -1.959839 0.319031
H 3.642202 -0.035497 -1.312537
H 4.881533 0.976581 -0.523305
H 3.501877 0.860879 1.645947
H 2.269146 -0.087292 0.754033
H 5.321561 -0.882618 1.148313
H 4.091661 -1.885567 0.346092
H 3.088439 2.847074 0.158421
H 1.990332 1.842559 -0.889649
H 6.660450 -0.811728 -1.003423
H 5.432993 -1.818964 -1.797462
H 7.390147 -3.231275 -1.035654
H 7.138482 -2.693054 0.650008
H 5.908649 -3.706076 -0.156800
H -0.488748 4.481012 0.829683
H -0.049653 3.663942 -0.731247
H 1.179583 4.716350 0.151040
H -3.585124 1.296594 -0.382645
H -1.013817 -2.179913 0.006407
H -5.617458 -0.143033 0.087569
H -3.039247 -3.633226 0.482467


