%chk=000254213.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000254213

0 1
Br 7.277412 -0.444160 0.783684
S 2.157326 1.532359 -0.085177
S -3.353231 -2.340411 -1.372128
N -0.469632 4.551423 0.444933
C 0.626577 3.740652 -0.183340
C 1.932139 -0.156071 0.603180
C 0.764024 2.458461 0.639844
C 0.079234 5.485738 1.484442
C -1.282086 5.284449 -0.581185
C 0.620451 -0.702967 0.123371
C 3.165467 -0.899283 0.169077
C 0.264027 -0.655821 -1.236549
C -0.274452 -1.257707 1.050064
C -1.034279 5.909615 2.443578
C -2.163835 4.300954 -1.351730
C 4.419945 -0.417677 0.590242
C 3.101950 -2.062896 -0.611349
C -1.851491 -1.699558 -0.720321
C -0.969848 -1.148614 -1.659591
C -1.510884 -1.760717 0.630223
C -5.892601 -2.636532 -0.576748
C -4.523847 -2.349121 0.028128
C -6.973378 -2.687305 0.515933
C 5.572168 -1.102427 0.210026
C 4.272697 -2.733021 -0.979688
C 5.522528 -2.257353 -0.573623
C -8.351327 -2.973659 -0.074862
H 0.355703 3.484718 -1.233702
H 1.592188 4.289471 -0.239041
H 1.933602 -0.082520 1.722814
H 0.960578 2.672949 1.705283
H -0.172313 1.867615 0.599041
H 0.866729 4.947917 2.058673
H 0.566838 6.382023 1.043568
H -1.932654 6.013896 -0.046854
H -0.656552 5.873930 -1.285581
H 0.953215 -0.223869 -1.966063
H -0.010764 -1.307200 2.105896
H -1.773265 6.555085 1.955456
H -1.578542 5.033179 2.821509
H -0.628003 6.452126 3.302888
H -1.574207 3.623168 -1.980068
H -2.740723 3.670082 -0.661382
H -2.871526 4.829084 -1.998050
H 4.489008 0.485880 1.201435
H 2.137505 -2.458487 -0.934314
H -1.240651 -1.097343 -2.715390
H -2.183747 -2.198228 1.365145
H -5.882376 -3.597920 -1.131207
H -6.159232 -1.861554 -1.325423
H -4.234597 -3.124309 0.760711
H -4.507265 -1.373603 0.547953
H -6.996195 -1.727745 1.069091
H -6.718777 -3.464047 1.263549
H 4.210312 -3.634978 -1.588740
H 6.433431 -2.780291 -0.863876
H -9.118017 -3.008238 0.707717
H -8.375710 -3.936132 -0.599180
H -8.652446 -2.202507 -0.793593


%chk=000254213-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000254213

0 1
Br 6.690445 -1.601178 1.953208
S 2.287499 1.713297 -0.269701
S -3.820021 -1.868894 -1.614367
N -0.049812 5.110121 0.309532
C 0.918740 4.170745 -0.310506
C 1.711340 0.028397 0.478463
C 0.926287 2.830841 0.448117
C 0.548940 5.908974 1.412502
C -0.803707 5.927180 -0.677862
C 0.343951 -0.406509 -0.029005
C 2.848721 -0.964035 0.233322
C -0.059294 -0.235744 -1.379229
C -0.561256 -1.035152 0.860382
C -0.486131 6.367761 2.457536
C -1.880739 5.116193 -1.423417
C 4.019195 -0.859923 1.032798
C 2.781246 -1.973029 -0.758067
C -2.211504 -1.325144 -0.925610
C -1.316142 -0.687257 -1.824840
C -1.825120 -1.493480 0.425477
C -6.052738 -3.182734 -0.551574
C -4.672795 -2.657621 -0.119516
C -6.803101 -3.858361 0.622309
C 5.082026 -1.756216 0.827500
C 3.863678 -2.861133 -0.949303
C 5.030148 -2.764533 -0.157600
C -8.190763 -4.389693 0.202790
H 0.624765 3.979287 -1.357755
H 1.949567 4.599821 -0.342901
H 1.647578 0.219691 1.565932
H 1.127190 2.977610 1.523545
H -0.042242 2.320027 0.322637
H 1.299092 5.271993 1.917895
H 1.106153 6.795661 1.015972
H -1.300382 6.745888 -0.126052
H -0.116556 6.414538 -1.415566
H 0.613346 0.281548 -2.072706
H -0.278042 -1.176372 1.911083
H -1.254610 7.028009 2.016126
H -1.000112 5.492355 2.891203
H 0.009346 6.930038 3.271149
H -1.443014 4.277608 -1.995350
H -2.602751 4.693270 -0.703526
H -2.425505 5.760920 -2.138382
H 4.091046 -0.075372 1.792720
H 1.879589 -2.074619 -1.368869
H -1.607015 -0.540370 -2.871403
H -2.492776 -1.970834 1.148660
H -5.932574 -3.910704 -1.378160
H -6.663846 -2.347005 -0.945796
H -4.034992 -3.481303 0.247572
H -4.771238 -1.889484 0.667897
H -6.919310 -3.131283 1.451519
H -6.189838 -4.692965 1.018275
H 3.802302 -3.639754 -1.717293
H 5.867965 -3.452615 -0.300753
H -8.713966 -4.862149 1.053907
H -8.100759 -5.144831 -0.600363
H -8.830906 -3.570972 -0.175859


