%chk=000188518.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000188518

0 1
Br -1.275314 5.062571 2.023742
S 0.881761 0.520792 0.148946
O -0.807898 1.269454 -2.613832
O -1.412485 -1.329973 -1.669316
O 2.390844 -2.718848 1.044119
O -4.999202 0.921097 0.367850
O -5.262156 -1.274296 0.724926
O 5.441104 -0.279031 -0.716295
O 6.659714 -0.994060 1.024932
N 0.080677 -2.332914 -0.245644
N 3.750674 -2.287959 -0.743521
N -3.010291 0.694854 2.355787
C 1.299985 -1.920457 -0.980278
C 0.171236 2.038355 -0.584869
C 1.337776 -0.434715 -1.326975
C -1.155722 1.701269 -1.290194
C -2.312527 -2.451774 0.268865
C -2.482435 -1.570109 1.506280
C 0.010573 3.001296 0.549769
C -1.202380 -1.960309 -0.639411
C 2.508801 -2.315183 -0.099494
C -3.064309 -0.187469 1.157995
C -2.073046 2.895163 -1.399024
C -1.038621 3.838257 0.576789
C -2.043531 3.876852 -0.486501
C -4.536298 -0.313932 0.767726
C 4.973185 -2.486453 0.052149
C 5.787925 -1.221191 0.226942
H 1.333002 -2.513568 -1.942693
H 0.887037 2.459745 -1.341169
H 0.607814 -0.218269 -2.151627
H 2.326256 -0.110731 -1.697865
H -1.711043 0.868050 -0.765151
H 0.248748 -2.702083 0.702861
H -2.145873 -3.506360 0.573987
H -3.265029 -2.483810 -0.314026
H -1.517979 -1.447791 2.040120
H -3.157204 -2.078414 2.233087
H 0.796982 3.008278 1.308961
H -2.516431 0.239015 0.256114
H -2.757058 2.879647 -2.246452
H -2.727035 4.726615 -0.514981
H 3.883899 -1.784062 -1.621275
H -1.220391 0.378834 -2.791968
H -2.051305 0.809287 2.675214
H -3.374001 1.622349 2.133132
H 5.614450 -3.263546 -0.437124
H 4.712661 -2.894713 1.071595
H -5.962974 0.912481 0.123405
H 5.953633 0.570362 -0.616310


%chk=000188518-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000188518

0 1
Br -0.736554 6.091348 1.618424
S 0.725946 0.774229 0.529847
O -1.145896 1.291789 -2.248393
O -1.423332 -1.284050 -1.516711
O 2.397083 -2.950077 1.079644
O -5.850874 0.049900 0.472171
O -5.335186 -2.209736 0.485297
O 6.075701 -1.154278 -1.505508
O 7.462463 -2.197056 0.049058
N 0.192693 -2.246409 -0.148348
N 3.832500 -1.944167 -0.431664
N -3.603557 0.571798 1.907141
C 1.386121 -1.700433 -0.799485
C 0.112215 2.347404 -0.381670
C 1.407825 -0.155154 -0.978485
C -1.264821 2.122782 -1.057598
C -2.158713 -2.665996 0.379261
C -2.663954 -1.679863 1.472648
C 0.108801 3.497535 0.616650
C -1.105463 -2.018799 -0.516337
C 2.581162 -2.243960 0.036537
C -3.549180 -0.531374 0.930554
C -1.900150 3.450315 -1.447041
C -0.749784 4.534863 0.413952
C -1.689765 4.583913 -0.718353
C -4.964185 -1.025397 0.630275
C 5.026010 -2.403887 0.283340
C 6.318036 -1.935283 -0.362340
H 1.473029 -2.121587 -1.825044
H 0.869114 2.541330 -1.170942
H 0.778679 0.137093 -1.831236
H 2.441005 0.192290 -1.155873
H -1.937452 1.638604 -0.308289
H 0.413631 -2.815897 0.682927
H -1.740297 -3.562295 0.873036
H -3.006699 -2.991673 -0.245312
H -1.796230 -1.227327 1.989266
H -3.237736 -2.243653 2.228407
H 0.856156 3.503123 1.415578
H -3.146275 -0.227728 -0.069511
H -2.584539 3.425019 -2.301611
H -2.193435 5.525618 -0.955427
H 3.979759 -1.380355 -1.272199
H -1.315261 0.321573 -2.026292
H -2.685521 0.968985 2.127499
H -4.319632 1.276515 1.710247
H 5.050753 -3.509188 0.343209
H 5.014898 -2.052264 1.333001
H -6.757582 -0.297820 0.253985
H 6.934692 -0.857719 -1.908988


