%chk=000237579.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000237579

0 1
Br 4.527540 2.515517 -2.551348
Br -4.526148 2.544840 2.520408
O 3.146363 -2.561319 0.289530
O -3.150278 -2.562034 -0.268894
N 1.222635 -1.437725 0.773146
N -1.226070 -1.444763 -0.765230
C 0.420724 -2.687948 0.654933
C 0.411721 -0.201423 0.651556
C -0.424932 -2.694223 -0.634314
C -0.414259 -0.207857 -0.656317
C 2.588759 -1.488305 0.438477
C -2.592043 -1.490988 -0.429155
C 3.320136 -0.176654 0.390685
C -3.322518 -0.178422 -0.394431
C 3.531909 0.444285 -0.846560
C -3.533047 0.455419 0.836469
C 3.825774 0.381805 1.570589
C -3.828568 0.368150 -1.579710
C 4.246624 1.643467 -0.875977
C -4.246937 1.655323 0.853959
C 4.544913 1.579930 1.514949
C -4.546868 1.567276 -1.535983
C 4.757688 2.220677 0.289712
C -4.758394 2.220798 -0.317299
H -0.229528 -2.767948 1.554369
H 1.106333 -3.570543 0.667974
H 1.055322 0.703730 0.694942
H -0.265785 -0.148370 1.535563
H 0.225263 -2.783737 -1.532893
H -1.111093 -3.576471 -0.638404
H -1.057206 0.697264 -0.709050
H 0.263292 -0.164397 -1.540816
H 3.156680 -0.010683 -1.765189
H -3.157513 0.009717 1.759503
H 3.666215 -0.120788 2.526102
H -3.669977 -0.144395 -2.530084
H 4.946267 2.016236 2.430403
H -4.948539 1.994362 -2.455637
H 5.319791 3.155668 0.250325
H -5.319844 3.156527 -0.287204


%chk=000237579-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000237579

0 1
Br 6.614916 1.472464 -2.387681
Br -6.618827 1.500502 2.364502
O 3.188191 -2.479683 -0.398298
O -3.192231 -2.473034 0.414656
N 1.368753 -1.289285 0.443721
N -1.370919 -1.291063 -0.434976
C 0.560863 -2.529251 0.537534
C 0.568934 -0.050917 0.529262
C -0.564640 -2.532761 -0.518713
C -0.569559 -0.054405 -0.530552
C 2.694439 -1.380026 0.011787
C -2.696700 -1.376772 -0.002304
C 3.560358 -0.143428 0.083689
C -3.562344 -0.140822 -0.087633
C 4.478134 0.072141 -0.976195
C -4.480998 0.085598 0.969197
C 3.578210 0.714374 1.213282
C -3.579364 0.705180 -1.226108
C 5.364076 1.161955 -0.906079
C -5.367053 1.174481 0.887041
C 4.491206 1.789562 1.271761
C -4.492599 1.779450 -1.296579
C 5.386901 2.032247 0.204858
C -5.389236 2.033018 -0.233001
H 0.118276 -2.590763 1.550347
H 1.236345 -3.384423 0.377454
H 1.209940 0.826784 0.357174
H 0.119848 0.031513 1.539623
H -0.122148 -2.603120 -1.530973
H -1.241206 -3.385704 -0.351518
H -1.209495 0.825434 -0.365552
H -0.120413 0.019346 -1.541570
H 4.495205 -0.626069 -1.817631
H -4.498686 -0.603739 1.817907
H 2.909248 0.521147 2.058943
H -2.909611 0.503221 -2.069106
H 4.516182 2.441306 2.151301
H -4.517060 2.421923 -2.182931
H 6.091468 2.867759 0.244481
H -6.094002 2.867857 -0.282024


