%chk=000273294.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000273294

0 1
Br -0.280418 -1.272396 2.268125
O -1.195526 1.092983 0.779438
O -0.364343 2.541263 -2.116100
O -2.397623 -0.116440 -2.283705
O -4.444034 -0.221057 0.841089
O -3.290451 -1.100233 2.587082
N 0.975321 0.276276 0.226817
N 2.211820 -1.472388 1.090616
N 2.645120 1.100299 -1.460285
N 4.723646 -0.196692 -1.444433
N 5.091944 -2.037019 -0.004001
C -0.530615 1.260213 -1.524407
C -2.056282 0.981652 -1.440210
C -0.060367 1.318830 -0.035327
C -2.270295 0.467124 0.002837
C -3.535460 0.903842 0.734881
C 2.206526 0.269320 -0.456163
C 1.060864 -0.807350 1.141324
C 2.964843 -0.821640 0.094228
C 4.271604 -1.034651 -0.441132
C -4.216568 -1.176701 1.817431
C 3.903108 0.803641 -1.890980
C -5.276927 -2.213125 1.707588
H -0.005318 0.486457 -2.127203
H -2.648955 1.880817 -1.705614
H 0.341652 2.316372 0.276724
H -2.136841 -0.641268 0.042546
H -4.148271 1.639103 0.183809
H -3.285013 1.283587 1.749342
H 0.594497 2.674544 -2.345104
H -2.474854 0.181577 -3.217190
H 4.316733 1.438155 -2.694357
H 6.013255 -2.159015 -0.394830
H 4.790050 -2.656583 0.733789
H -4.836003 -3.200559 1.492569
H -6.003858 -1.992463 0.908115
H -5.833860 -2.305872 2.653892


%chk=000273294-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000273294

0 1
Br 1.477950 0.551079 3.399340
O -0.755265 -0.230099 1.270850
O -0.324176 1.215350 -2.108318
O -2.860916 -0.556582 -1.651579
O -4.475678 0.291888 1.048638
O -4.812772 -1.961599 1.550768
N 1.440627 0.338555 0.474451
N 3.496227 -0.043067 1.450563
N 2.169142 0.237891 -1.929011
N 4.557131 -0.266278 -2.160759
N 5.975956 -0.586145 -0.299669
C -0.594661 0.292834 -1.038965
C -2.097243 0.250788 -0.708909
C 0.002936 0.641486 0.350052
C -2.133377 -0.412569 0.684655
C -3.130563 0.209218 1.674752
C 2.360092 0.148220 -0.575928
C 2.207891 0.237053 1.661290
C 3.607184 -0.101560 0.051213
C 4.732051 -0.325075 -0.795346
C -5.210167 -0.907626 1.008719
C 3.315679 0.014892 -2.643094
C -6.480916 -0.716571 0.216409
H -0.269303 -0.740220 -1.289540
H -2.484780 1.290716 -0.677809
H -0.159995 1.709032 0.607324
H -2.308834 -1.496153 0.578545
H -2.866264 1.254434 1.900104
H -3.182363 -0.388382 2.600502
H 0.633183 0.988058 -2.383899
H -2.751846 -0.150143 -2.549822
H 3.225161 0.074618 -3.731133
H 6.746959 -0.729812 -0.949218
H 6.124613 -0.629819 0.706871
H -6.235629 -0.779416 -0.859700
H -6.918731 0.276452 0.404669
H -7.200206 -1.510847 0.464186


