%chk=000258280.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000258280

0 1
Br -5.505179 -4.193085 0.796505
O -0.276405 -0.028864 -0.256462
O 0.647094 1.034855 -2.028050
C -1.617626 0.407551 -0.684859
C -2.547507 -0.720855 -0.307184
C -1.899271 1.718355 0.012375
C -3.819829 -0.773275 -0.897748
C -2.161661 -1.703808 0.614018
C -1.475462 2.906975 -0.603817
C -2.549655 1.770152 1.251738
C -4.703334 -1.804880 -0.570239
C -3.037887 -2.741999 0.944025
C -1.717441 4.137128 0.010501
C -2.790448 3.004820 1.862915
C -4.299238 -2.777976 0.347164
C -2.377958 4.187961 1.243263
C 0.798323 0.371150 -1.025078
C 2.034183 -0.147506 -0.415492
C 4.501326 -0.421917 -0.448767
C 3.225028 0.061116 -0.996154
C 4.591781 -1.658352 0.211653
C 5.654437 0.369051 -0.602516
C 5.820097 -2.094655 0.715544
C 6.876468 -0.068999 -0.089048
C 6.961746 -1.301037 0.569242
H -1.588433 0.538011 -1.798425
H -4.126780 -0.007353 -1.610606
H -1.168531 -1.656059 1.068429
H -0.943290 2.864901 -1.558346
H -2.868257 0.850601 1.743268
H -5.692285 -1.843850 -1.028985
H -2.733174 -3.507854 1.658331
H -1.388956 5.057255 -0.470135
H -3.299077 3.042096 2.824807
H -2.567475 5.148046 1.720146
H 1.905170 -0.688196 0.525129
H 3.297373 0.630367 -1.935132
H 3.706226 -2.283276 0.323365
H 5.594012 1.328362 -1.115653
H 5.886411 -3.055768 1.224048
H 7.766100 0.549256 -0.203314
H 7.917283 -1.641547 0.965643


%chk=000258280-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000258280

0 1
Br -5.907305 -4.197709 0.257195
O -0.276146 -0.132855 -0.110046
O 0.760318 0.946369 -1.919679
C -1.611653 0.350589 -0.606098
C -2.627510 -0.756974 -0.342518
C -1.925945 1.691240 0.051306
C -4.004794 -0.488307 -0.549947
C -2.238488 -2.061039 0.042666
C -1.680386 2.892004 -0.659603
C -2.422443 1.759178 1.377669
C -4.977207 -1.496418 -0.379396
C -3.200489 -3.081875 0.224510
C -1.932870 4.144288 -0.056052
C -2.669822 3.009563 1.982896
C -4.560146 -2.786442 0.008993
C -2.428138 4.206220 1.266641
C 0.847484 0.270408 -0.861513
C 2.079958 -0.225796 -0.223772
C 4.616509 -0.405805 -0.299154
C 3.300485 0.013822 -0.795774
C 4.797207 -1.142176 0.908968
C 5.770766 -0.061250 -1.060650
C 6.085431 -1.518166 1.333741
C 7.061240 -0.438181 -0.635252
C 7.223515 -1.168882 0.564369
H -1.500389 0.507551 -1.697250
H -4.326461 0.517776 -0.841638
H -1.180044 -2.277444 0.208046
H -1.274232 2.840170 -1.676327
H -2.616167 0.832962 1.930709
H -6.036270 -1.278715 -0.543397
H -2.890530 -4.086446 0.526398
H -1.741044 5.067377 -0.614116
H -3.051554 3.053536 3.009068
H -2.623800 5.176881 1.736224
H 1.953415 -0.780173 0.710921
H 3.291763 0.585965 -1.735600
H 3.928362 -1.418541 1.516187
H 5.645424 0.505886 -1.991152
H 6.209354 -2.083310 2.264033
H 7.936365 -0.164454 -1.234349
H 8.224135 -1.463928 0.898842


