%chk=000237849.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000237849

0 1
Br -4.811807 0.000818 -1.689031
Br -4.811692 0.000594 1.689393
O -1.951228 0.001721 -2.697826
O -1.951029 -0.000309 2.697990
C 0.679728 0.000180 -1.314033
C 0.679824 -0.000403 1.314001
C -0.706700 0.000360 -0.675156
C -0.706652 0.000059 0.675226
C 1.389697 1.212037 -0.712083
C 1.389140 -1.212268 -0.712625
C 1.389752 1.211717 0.712540
C 1.389187 -1.212589 0.711999
C -1.947229 0.000929 -1.493878
C -1.947123 0.000096 1.494041
C 1.995596 2.238739 -1.416185
C 1.994569 -2.238933 -1.417182
C 1.995705 2.238104 1.417054
C 1.994658 -2.239571 1.416056
C -3.222486 0.000712 -0.669562
C -3.222437 0.000483 0.669813
C 2.610916 3.280823 -0.695720
C 2.609400 -3.281628 -0.697181
C 2.610969 3.280511 0.697008
C 2.609443 -3.281942 0.695546
H 0.646174 0.000439 -2.420846
H 0.646354 -0.000641 2.420816
H 2.001492 2.249051 -2.504222
H 2.000474 -2.248759 -2.505223
H 2.001683 2.247932 2.505095
H 2.000631 -2.249888 2.504093
H 3.090323 4.093335 -1.240445
H 3.088436 -4.094115 -1.242269
H 3.090417 4.092779 1.242061
H 3.088513 -4.094675 1.240238


%chk=000237849-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000237849

0 1
Br -4.868682 0.001277 -1.752988
Br -4.868557 0.000499 1.753355
O -1.955097 0.000942 -2.745740
O -1.954899 -0.000331 2.745898
C 0.673669 0.000206 -1.312650
C 0.673764 -0.000398 1.312618
C -0.720310 0.000374 -0.685610
C -0.720260 0.000070 0.685680
C 1.389024 1.227743 -0.709577
C 1.388466 -1.227933 -0.710144
C 1.389076 1.227415 0.710061
C 1.388517 -1.228261 0.709494
C -1.966220 0.000768 -1.479653
C -1.966113 0.000240 1.479812
C 2.008265 2.266149 -1.424983
C 2.007220 -2.266300 -1.426028
C 2.008367 2.265492 1.425900
C 2.007324 -2.266957 1.424854
C -3.256838 0.000835 -0.687629
C -3.256788 0.000528 0.687881
C 2.635872 3.316685 -0.706069
C 2.634335 -3.317461 -0.707598
C 2.635923 3.316359 0.707424
C 2.634386 -3.317787 0.705895
H 0.637647 0.000469 -2.411798
H 0.637822 -0.000642 2.411769
H 2.005684 2.267403 -2.520779
H 2.004637 -2.267050 -2.521824
H 2.005866 2.266241 2.521697
H 2.004819 -2.268213 2.520651
H 3.120360 4.134107 -1.251321
H 3.118439 -4.134860 -1.253225
H 3.120450 4.133530 1.253017
H 3.118529 -4.135437 1.251112


