%chk=000233120.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000233120

0 1
Br 1.855035 1.093372 1.504812
Br 6.007248 -2.940862 -1.639376
S 0.837566 -1.707880 -0.145025
O -3.256420 1.197657 1.201857
O 0.476107 -1.872683 -1.540710
O 0.623349 -2.791374 0.782877
N 0.031487 -0.314978 0.481130
C -0.958968 0.361302 -0.423788
C -1.139082 1.772451 0.091264
C -2.284689 -0.369362 -0.425855
C -2.235948 2.100442 0.902588
C -3.335222 0.056911 0.399151
C -0.207959 2.783551 -0.187036
C -2.504240 -1.500964 -1.226070
C 2.527281 -1.243755 -0.078624
C -2.404789 3.368898 1.477821
C -4.559668 -0.621027 0.490078
C -0.358860 4.056420 0.367216
C -3.716996 -2.188077 -1.161716
C -1.446195 4.342877 1.205529
C -4.735451 -1.756416 -0.298816
C 3.015276 -0.129445 0.600759
C 3.424475 -2.083637 -0.753597
C 4.791604 -1.799583 -0.724547
C 4.387461 0.154260 0.632276
C 5.282727 -0.686619 -0.031759
H -0.534388 0.384526 -1.466963
H -0.386416 -0.445258 1.425425
H 0.640005 2.569265 -0.839617
H -1.708335 -1.850407 -1.898786
H -3.267728 3.568738 2.109058
H -5.337142 -0.254958 1.156311
H 0.371948 4.832193 0.147904
H -3.871506 -3.069441 -1.782154
H -1.548469 5.337364 1.640385
H -5.674401 -2.308537 -0.248950
H 3.057419 -2.957581 -1.308648
H 4.763876 1.026956 1.171913
H 6.354707 -0.471343 -0.008415


%chk=000233120-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000233120

0 1
Br 2.320270 -1.228560 3.004771
Br 5.796849 -0.603418 -2.715428
S 0.862179 -1.776734 -0.165352
O -3.401027 1.457621 0.964681
O 0.643775 -1.794926 -1.787563
O 0.528214 -3.099458 0.715293
N -0.013215 -0.234340 0.476741
C -1.091674 0.290121 -0.465346
C -1.202156 1.771379 -0.137649
C -2.426873 -0.426459 -0.324182
C -2.314691 2.272589 0.581698
C -3.484219 0.154930 0.419096
C -0.178571 2.681896 -0.499466
C -2.638882 -1.711889 -0.885544
C 2.693491 -1.269140 0.067567
C -2.406090 3.631720 0.955157
C -4.699643 -0.525095 0.645638
C -0.256868 4.042925 -0.147663
C -3.849914 -2.401718 -0.679588
C -1.372949 4.514984 0.590364
C -4.877378 -1.810145 0.097688
C 3.292106 -1.073242 1.324411
C 3.407070 -1.137946 -1.136556
C 4.771566 -0.797221 -1.063139
C 4.663280 -0.732810 1.373010
C 5.407022 -0.595154 0.180277
H -0.678314 0.139116 -1.479470
H -0.404893 -0.518223 1.399559
H 0.692654 2.301609 -1.044808
H -1.837724 -2.167090 -1.479928
H -3.284754 3.969002 1.512614
H -5.481940 -0.032985 1.230884
H 0.542610 4.732368 -0.436848
H -3.992291 -3.395607 -1.115287
H -1.438026 5.570827 0.874038
H -5.817569 -2.345700 0.266970
H 2.886765 -1.305446 -2.085710
H 5.149261 -0.572593 2.339489
H 6.467248 -0.332191 0.227481


