%chk=000250068.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000250068

0 1
Br -3.386656 2.021163 0.343643
O -5.775816 0.269171 -0.933723
N 0.051800 -0.637282 0.065781
N -1.108797 0.095698 0.167901
N -4.552518 -1.590480 -1.398920
N -3.429099 -2.318524 -1.426487
C 1.427592 1.034608 1.389996
C 1.172055 -0.222012 0.590200
C 2.340771 -1.120154 0.390105
C 0.967964 2.291014 0.700822
C 3.007634 -1.657346 1.502315
C 2.781232 -1.427903 -0.905442
C 4.568156 -2.787008 0.022057
C 4.114640 -2.484950 1.317843
C 3.891811 -2.253667 -1.086811
C 1.400280 2.576905 -0.603148
C 0.112640 3.184289 1.363330
C 0.970745 3.743173 -1.240727
C -0.312318 4.350277 0.719828
C 5.746361 -3.683276 -0.172368
C 0.112465 4.630420 -0.582327
C -2.260009 -0.458665 -0.376516
C -3.429416 0.283079 -0.361374
C -2.314207 -1.804568 -0.943688
C -4.675914 -0.232781 -0.873091
H 2.517406 1.134805 1.608700
H 0.951696 0.923979 2.390160
H 2.656849 -1.436713 2.509546
H 2.250895 -1.027301 -1.769894
H 4.626293 -2.902728 2.183179
H 4.229223 -2.488674 -2.094961
H 2.069010 1.888026 -1.117866
H -0.219395 2.979001 2.379476
H 1.304178 3.961040 -2.255013
H -0.977253 5.042074 1.236015
H 5.427605 -4.735707 -0.230370
H 6.294040 -3.461796 -1.098459
H 6.469336 -3.610552 0.651337
H -1.107577 1.067430 0.524272
H -0.224631 5.536331 -1.083615
H -1.403471 -2.420790 -0.976426
H -5.386799 -2.051710 -1.790784


%chk=000250068-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000250068

0 1
Br -3.724889 1.831310 0.572580
O -5.967783 0.267261 -1.099640
N -0.056134 -0.790035 -0.091253
N -1.233702 -0.078269 0.066033
N -4.607909 -1.476639 -1.856364
N -3.452694 -2.195801 -1.998650
C 0.984460 0.784860 1.563016
C 1.013905 -0.390641 0.587350
C 2.257388 -1.174919 0.380953
C 0.841822 2.171396 0.921344
C 3.531271 -0.657283 0.742939
C 2.211645 -2.473313 -0.207772
C 4.661220 -2.700659 -0.047120
C 4.707686 -1.408603 0.530337
C 3.385827 -3.215340 -0.413579
C 1.488369 2.481635 -0.302969
C 0.089572 3.182594 1.572435
C 1.388140 3.776041 -0.859137
C -0.009285 4.478838 1.018034
C 5.920995 -3.517621 -0.265728
C 0.641217 4.779955 -0.200211
C -2.390632 -0.505715 -0.568800
C -3.601819 0.192355 -0.462764
C -2.376995 -1.719932 -1.369041
C -4.820026 -0.264462 -1.118066
H 1.896769 0.760446 2.183280
H 0.146411 0.629140 2.275289
H 3.622034 0.346262 1.173459
H 1.238459 -2.883435 -0.492723
H 5.676511 -0.981124 0.814509
H 3.319827 -4.214839 -0.861181
H 2.061092 1.706818 -0.826547
H -0.416138 2.958526 2.520693
H 1.889682 4.000503 -1.807166
H -0.595984 5.248158 1.532216
H 5.903443 -4.448665 0.332345
H 6.026425 -3.817534 -1.325180
H 6.825372 -2.953188 0.018221
H -1.263688 0.824827 0.562481
H 0.561468 5.782462 -0.634476
H -1.450363 -2.282096 -1.479968
H -5.424169 -1.855378 -2.344683


