%chk=000234122.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000234122

0 1
Br -7.497865 1.337131 -0.589348
O 5.760720 -0.057887 -0.412592
O -0.584850 0.634694 -0.336666
N 0.384639 -1.349908 0.380568
N -1.968754 -1.137789 0.263093
C 3.929768 2.176510 0.068590
C 3.486024 0.729607 0.018555
C 2.151705 0.363910 0.204301
C 1.757069 -0.982908 0.141854
C 4.418813 -0.298363 -0.224019
C 2.706086 -2.005042 -0.120739
C 3.255891 2.987512 -1.042405
C 3.661168 2.781393 1.450452
C 4.045208 -1.647506 -0.292924
C 2.311633 -3.443532 -0.215303
C -0.702630 -0.511653 0.055303
C -3.233059 -0.508683 0.052339
C -4.383402 -1.265697 0.369458
C -3.361876 0.797534 -0.454975
C -5.649061 -0.712731 0.176537
C -4.631286 1.341885 -0.643857
C -5.763343 0.585056 -0.327796
H 5.045420 2.207506 -0.109537
H 1.402108 1.143567 0.386738
H 3.444675 2.548987 -2.029187
H 3.614396 4.021712 -1.058322
H 2.165787 3.021781 -0.915017
H 2.586863 2.838534 1.664947
H 4.060462 3.798393 1.525210
H 4.116857 2.181052 2.246019
H 4.811263 -2.396524 -0.488017
H 0.228346 -2.313761 0.666661
H 3.148525 -4.079482 -0.542401
H 1.984362 -3.840132 0.755511
H 1.506303 -3.596814 -0.947879
H 5.958224 0.925059 -0.361137
H -2.004932 -2.090525 0.626675
H -4.297668 -2.275530 0.762964
H -2.471687 1.389548 -0.702163
H -6.538592 -1.296570 0.420868
H -4.730410 2.355969 -1.037860


%chk=000234122-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000234122

0 1
Br -7.779481 1.137877 -0.024064
O 5.919963 -0.215836 -0.006072
O -0.643066 0.897923 -0.014347
N 0.355157 -1.241591 -0.017824
N -1.969688 -1.053342 -0.028250
C 4.053381 2.185908 -0.002143
C 3.600348 0.721088 -0.006975
C 2.217905 0.419466 -0.009854
C 1.746654 -0.912950 -0.014395
C 4.516298 -0.365040 -0.008570
C 2.676327 -2.001287 -0.015802
C 3.584799 2.931129 -1.280809
C 3.581328 2.923677 1.279585
C 4.050866 -1.699320 -0.012807
C 2.210598 -3.448616 -0.020943
C -0.736449 -0.365472 -0.019614
C -3.274278 -0.492286 -0.027034
C -4.372101 -1.396586 -0.035718
C -3.528591 0.906281 -0.017699
C -5.699798 -0.924412 -0.034986
C -4.858354 1.378512 -0.016774
C -5.931826 0.466179 -0.025359
H 5.166383 2.233835 -0.000501
H 1.482106 1.225738 -0.008591
H 3.951612 2.429615 -2.194211
H 3.953202 3.973793 -1.280816
H 2.481574 2.960564 -1.332411
H 2.477969 2.952784 1.328342
H 3.949705 3.966318 1.286664
H 3.945667 2.416842 2.191036
H 4.794033 -2.502938 -0.013778
H 0.159235 -2.243647 -0.018067
H 3.074348 -4.132715 -0.018330
H 1.602569 -3.697837 0.873145
H 1.610695 -3.693634 -0.921615
H 6.165705 0.743120 -0.003100
H -1.945663 -2.075193 -0.036931
H -4.194756 -2.479809 -0.043066
H -2.689413 1.602997 -0.011588
H -6.534702 -1.630724 -0.041749
H -5.047361 2.455892 -0.009478


