%chk=000197500.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000197500

0 1
Br -0.204835 -3.082882 -0.331075
S 3.656263 -1.996974 1.251932
P 4.120712 -0.677734 -0.268990
O 1.159572 2.137268 -1.432041
O -0.952776 4.433934 -0.263703
O 1.443462 4.590662 0.521705
O 2.736244 0.193577 -0.563324
O 4.990111 0.420799 0.626172
O 4.721076 -1.165412 -1.518818
O -3.795517 -2.558034 -0.377619
O 2.064702 -3.944754 2.364960
N -0.869755 1.003277 -1.179742
N -3.313654 1.542963 -0.790527
N -1.027731 -1.264538 -0.996954
N -4.673736 -0.436567 -0.393105
N -5.633674 1.735138 -0.216242
C -0.440742 3.159431 0.054555
C 0.979409 3.248987 0.693191
C -0.234746 2.344709 -1.263866
C 1.886476 2.361786 -0.189582
C 2.214447 1.022194 0.492198
C -2.211928 0.692546 -0.909601
C -0.184645 -0.244143 -1.243669
C -2.297721 -0.714544 -0.792941
C -3.586007 -1.384230 -0.503241
C -4.551062 0.865112 -0.484405
C 3.080164 -3.440619 0.289556
C 1.962931 -4.007393 1.161434
C 0.803668 -4.582733 0.434122
H -1.195873 2.721212 0.742510
H 0.985918 2.972691 1.765251
H -0.577419 2.875204 -2.186609
H 2.802845 2.889453 -0.547520
H 1.310357 0.496634 0.866125
H 2.928124 1.178173 1.328293
H -0.211462 5.035651 -0.579655
H 1.223661 5.132511 1.316797
H 0.884429 -0.307712 -1.477060
H -3.208785 2.554086 -0.769877
H -5.774772 2.503111 -0.862455
H -6.510354 1.248334 -0.009665
H 5.869048 0.701294 0.258649
H 2.743487 -3.212118 -0.739886
H 3.906068 -4.173833 0.186810
H 1.079138 -5.263456 -0.382666
H 0.129985 -5.139064 1.109678


%chk=000197500-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000197500

0 1
Br -0.251187 -3.813087 -0.749614
S 3.304780 -1.837441 1.789986
P 4.577043 -0.518001 0.405091
O 1.085623 1.698203 -1.542027
O -1.469233 3.725980 0.140136
O 0.846490 4.669667 -0.598578
O 3.536544 0.628320 -0.370673
O 5.285463 0.563264 1.563564
O 5.528966 -1.253836 -0.624450
O -4.587082 -2.332725 -0.974257
O 1.776193 -4.251523 2.313904
N -1.095939 0.775255 -1.299985
N -3.294707 1.604386 -0.434461
N -1.679492 -1.398933 -1.658068
N -5.013840 -0.106937 -0.336863
N -5.475459 2.081885 0.350351
C -0.379834 2.762352 0.073447
C 1.017636 3.422947 0.161940
C -0.316956 2.022699 -1.300444
C 1.942119 2.402783 -0.544781
C 2.580358 1.410504 0.434579
C -2.433175 0.640691 -0.935914
C -0.687242 -0.503924 -1.748438
C -2.794294 -0.698332 -1.152486
C -4.164008 -1.153934 -0.836161
C -4.599216 1.137423 -0.153365
C 2.924632 -3.155337 0.466374
C 1.942202 -4.159216 1.069747
C 1.173287 -5.017764 0.084896
H -0.532896 2.041410 0.892921
H 1.327466 3.636940 1.202054
H -0.681056 2.692949 -2.105599
H 2.746920 2.897528 -1.117296
H 1.832390 0.732498 0.889566
H 3.127929 1.953673 1.229909
H -1.121394 4.572298 -0.259360
H 1.650796 5.240166 -0.549648
H 0.325432 -0.683387 -2.094248
H -2.960107 2.556982 -0.213397
H -5.227983 3.057273 0.491441
H -6.414233 1.754462 0.563747
H 6.068718 0.211143 2.056987
H 2.499622 -2.677159 -0.430669
H 3.871473 -3.654564 0.193028
H 1.786200 -5.381843 -0.754485
H 0.646158 -5.831745 0.600697


