%chk=000259567.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000259567

0 1
Br -3.638048 -2.842392 -1.639864
O -1.636249 -0.697267 0.947675
O 4.451940 -1.370030 2.195510
O 1.536317 -2.078145 -1.429888
O 5.677275 -1.414361 0.320927
N 2.197826 -1.489090 0.678214
N -1.105983 -2.463410 -0.409615
C -3.871744 1.191004 -0.196178
C -4.178829 -0.318920 -0.338842
C -3.034968 -1.071554 -1.005889
C 3.323407 -0.664378 0.203435
C -4.852378 1.826992 0.793549
C -3.934480 1.899910 -1.553468
C 3.158215 0.824644 0.572077
C -1.868850 -1.340640 -0.060294
C 2.024574 1.452836 -0.192747
C 0.095948 -2.764983 0.391642
C 1.317735 -2.080567 -0.232994
C 4.615114 -1.188640 0.840566
C 2.280037 2.154996 -1.380362
C 0.707905 1.338614 0.276922
C 1.225916 2.742590 -2.085397
C -0.341034 1.924484 -0.435448
C -0.086565 2.629874 -1.614603
H -2.827446 1.302786 0.219783
H -5.118352 -0.449597 -0.914163
H -4.381292 -0.753198 0.663418
H -2.674065 -0.522914 -1.911147
H 3.416788 -0.776419 -0.922275
H -4.658977 2.899780 0.908238
H -4.765569 1.375958 1.789183
H -5.892748 1.717742 0.469002
H -4.931622 1.829996 -2.002924
H -3.221513 1.476797 -2.268889
H -3.702164 2.966452 -1.452849
H 4.108497 1.363639 0.366791
H 2.996458 0.936528 1.666094
H 1.987207 -1.424016 1.673077
H 0.262395 -3.869201 0.399670
H -0.075554 -2.459033 1.452995
H -1.071677 -2.832782 -1.365072
H 3.296743 2.241532 -1.758591
H 0.485775 0.787123 1.190988
H 1.428775 3.287596 -3.006015
H -1.368409 1.817021 -0.060114
H -0.904802 3.089554 -2.164286
H 5.271771 -1.721013 2.637860


%chk=000259567-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000259567

0 1
Br -3.613358 -3.554198 -1.599374
O -2.902240 -1.500994 1.376629
O 4.164254 -2.397640 1.807572
O 1.127367 -1.024335 -1.382763
O 5.609168 -2.217408 -0.007868
N 2.252751 -0.941848 0.659053
N -1.291861 -1.283704 -0.276026
C -5.204941 0.315913 -0.213719
C -5.042667 -1.200890 -0.539579
C -3.629149 -1.581267 -0.979204
C 3.583957 -0.808012 0.065140
C -6.622596 0.553759 0.358734
C -4.958269 1.218291 -1.447144
C 4.234568 0.598598 0.331211
C -2.587461 -1.462091 0.145696
C 3.384011 1.742290 -0.197852
C -0.193819 -1.188906 0.677914
C 1.115892 -1.044230 -0.112690
C 4.553756 -1.878793 0.562237
C 3.255356 1.960482 -1.593648
C 2.701217 2.608533 0.692172
C 2.464735 3.019887 -2.087713
C 1.907689 3.671282 0.201668
C 1.787229 3.879491 -1.190937
H -4.470828 0.574833 0.574824
H -5.757164 -1.476602 -1.338447
H -5.290670 -1.788789 0.362303
H -3.306844 -1.054152 -1.892120
H 3.461993 -0.941486 -1.024308
H -6.765309 1.616139 0.630145
H -6.794781 -0.056587 1.263986
H -7.397939 0.287682 -0.385829
H -5.637346 0.942161 -2.277176
H -3.919263 1.152397 -1.820512
H -5.148531 2.278273 -1.196245
H 5.229384 0.588395 -0.152918
H 4.397433 0.712512 1.419826
H 2.192109 -1.047001 1.674026
H -0.162443 -2.087572 1.326989
H -0.335816 -0.320049 1.350694
H -1.013877 -1.286126 -1.266024
H 3.774772 1.299505 -2.298533
H 2.798006 2.457412 1.774709
H 2.375689 3.175059 -3.168552
H 1.389108 4.334746 0.902902
H 1.174194 4.702896 -1.573909
H 4.835835 -3.061959 2.120364


