%chk=000180447.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180447

0 1
Br -4.075747 -0.774848 1.865003
Cl -4.225893 2.610966 -1.120463
O 0.976527 -2.656641 -1.140783
O 3.236644 3.508219 0.962732
C 0.016014 -0.661755 -0.391651
C 1.263689 -0.995996 0.524796
C 1.472329 -2.528938 0.241694
C -0.357325 -2.097376 -0.919715
C 0.375934 -3.315540 1.029086
C -0.900432 -3.008181 0.210748
C -1.094063 -0.004909 0.452578
C 2.524403 -0.160658 0.287526
C 0.356275 0.208848 -1.602591
C 2.859372 -3.111115 0.297234
C -2.418575 0.152317 -0.305779
C 2.342921 1.296714 0.721746
C -3.535839 0.672483 0.591842
C 3.609377 2.163008 0.548613
C -4.797706 1.149335 -0.153338
C 4.785000 1.700452 1.409507
C 3.971940 2.377811 -0.905006
C -5.346787 0.158834 -1.160345
C -5.864757 1.684292 0.786720
C 4.667911 1.527971 -1.653256
H 0.973567 -0.869093 1.592491
H -0.889425 -2.139226 -1.872810
H 0.595395 -4.393693 1.037133
H 0.295143 -2.997834 2.075997
H -1.684682 -2.527264 0.814504
H -1.337383 -3.927393 -0.209223
H -0.741784 0.987730 0.797134
H -1.253016 -0.601001 1.375375
H 2.817503 -0.209264 -0.781243
H 3.367439 -0.605709 0.853275
H 1.146155 -0.259109 -2.207725
H 0.717583 1.202524 -1.300325
H -0.508484 0.359693 -2.256045
H 2.843547 -4.183387 0.053781
H 3.314066 -2.995109 1.286131
H 3.517439 -2.643018 -0.448273
H -2.709284 -0.810497 -0.773645
H -2.263152 0.853880 -1.157154
H 2.010350 1.343298 1.774827
H 1.521795 1.763756 0.130116
H -3.158829 1.488235 1.254385
H 4.496782 1.539748 2.452409
H 5.588628 2.449066 1.394906
H 5.211737 0.761653 1.038756
H 3.600101 3.331960 -1.295338
H 3.139539 3.570225 1.927026
H -5.664517 -0.775418 -0.674492
H -6.222159 0.563615 -1.688146
H -4.613600 -0.106986 -1.933452
H -6.643348 2.238263 0.241902
H -6.377915 0.877773 1.330137
H -5.455358 2.375137 1.535529
H 4.900713 1.717717 -2.692275
H 5.059639 0.585437 -1.299665


%chk=000180447-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000180447

0 1
Br -4.075228 -0.495231 2.055251
Cl -4.158889 2.638693 -1.424918
O 0.960787 -2.816305 -1.156043
O 3.246693 3.488607 1.291922
C 0.016221 -0.766368 -0.425287
C 1.284147 -1.088402 0.500401
C 1.501954 -2.634750 0.238576
C -0.376193 -2.223636 -0.869048
C 0.437034 -3.414816 1.076015
C -0.889926 -3.110010 0.299360
C -1.089152 -0.024654 0.379700
C 2.539497 -0.207068 0.301540
C 0.385190 0.013078 -1.713598
C 2.914608 -3.196803 0.296021
C -2.455833 0.081027 -0.335623
C 2.375888 1.218418 0.878264
C -3.526750 0.787993 0.507456
C 3.591820 2.174964 0.662335
C -4.822355 1.225686 -0.221322
C 4.885017 1.632820 1.300281
C 3.727629 2.534838 -0.809307
C -5.453558 0.160457 -1.122138
C -5.839144 1.942238 0.676280
C 4.660195 2.080642 -1.680036
H 0.972455 -0.966648 1.559452
H -0.976438 -2.266968 -1.790446
H 0.666293 -4.494625 1.062532
H 0.407123 -3.081960 2.128660
H -1.655234 -2.614541 0.920375
H -1.331066 -4.036480 -0.105601
H -0.730765 0.999269 0.611783
H -1.235561 -0.528735 1.354281
H 2.816450 -0.149657 -0.766787
H 3.387503 -0.694112 0.821191
H 1.125997 -0.552030 -2.304264
H 0.800428 1.012773 -1.497965
H -0.507526 0.156215 -2.350666
H 2.899053 -4.266283 0.021751
H 3.335779 -3.108571 1.314140
H 3.585531 -2.673832 -0.406130
H -2.816838 -0.922508 -0.626493
H -2.348446 0.673563 -1.265059
H 2.194294 1.141695 1.974018
H 1.486760 1.716445 0.448791
H -3.110875 1.642904 1.067379
H 4.716596 1.387913 2.366742
H 5.680340 2.394237 1.235081
H 5.239868 0.714388 0.800810
H 2.949513 3.232624 -1.152344
H 3.086719 3.331774 2.258873
H -5.802849 -0.682366 -0.496412
H -6.319882 0.581046 -1.658515
H -4.739201 -0.226622 -1.865832
H -6.607760 2.433110 0.056923
H -6.334586 1.211743 1.339901
H -5.350978 2.707949 1.302643
H 4.650650 2.391928 -2.730435
H 5.462399 1.395944 -1.381561


