%chk=000252130.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000252130

0 1
Br 4.744499 3.442966 -0.418867
O -0.430870 2.159302 -1.704797
N 0.135608 -0.589992 -0.732860
N -1.868538 -1.435566 0.127318
N -3.725076 0.009090 0.854706
N -1.374468 2.143108 -0.968788
N -3.551157 2.325340 0.748740
N -3.907323 -2.341847 0.886339
C 0.609391 -2.002501 -0.905817
C 1.209910 -2.565764 0.390209
C 1.781507 -3.970710 0.161726
C 1.188214 0.406016 -0.667646
C -1.150720 -0.332079 -0.279618
C 2.384083 -4.543872 1.442092
C -1.747460 0.984009 -0.271446
C 1.400322 1.131662 0.518297
C 2.027323 0.585936 -1.782699
C -3.007601 1.105142 0.434953
C 2.455655 2.043952 0.586342
C 3.082725 1.495852 -1.706476
C 3.288768 2.209731 -0.522220
C -3.149363 -1.226178 0.608907
H -0.249075 -2.631442 -1.241862
H 1.358497 -2.011005 -1.727951
H 0.428359 -2.596860 1.177455
H 1.999619 -1.891826 0.775190
H 2.553727 -3.942529 -0.632320
H 0.985120 -4.645845 -0.209971
H 1.638356 -4.618220 2.242083
H 2.786779 -5.549333 1.274624
H 3.204554 -3.921051 1.817379
H 0.740059 0.997251 1.374957
H 1.836796 0.044984 -2.709395
H 2.620355 2.616489 1.500941
H 3.731096 1.649558 -2.571202
H -4.479204 2.378697 1.144491
H -3.155697 3.175248 0.368191
H -3.487606 -3.257702 0.841328
H -4.787664 -2.242710 1.368863


%chk=000252130-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000252130

0 1
Br 4.794733 3.531851 -0.210858
O -0.493768 2.032547 -1.947397
N 0.132718 -0.556418 -0.702798
N -1.829881 -1.397427 0.261051
N -3.692229 0.048687 0.969335
N -1.514324 2.095753 -1.136367
N -3.671077 2.328392 0.444803
N -3.735373 -2.258193 1.288758
C 0.572221 -1.969341 -0.914645
C 1.231152 -2.601648 0.330875
C 1.733803 -4.034737 0.044703
C 1.170813 0.443087 -0.627299
C -1.154586 -0.319103 -0.247777
C 2.398586 -4.684809 1.277285
C -1.797371 0.985288 -0.327688
C 1.307879 1.228776 0.543834
C 2.127157 0.566779 -1.664436
C -3.066272 1.107886 0.387070
C 2.367092 2.153432 0.665892
C 3.198244 1.473200 -1.544912
C 3.305864 2.261345 -0.378753
C -3.062740 -1.162733 0.810061
H -0.315283 -2.553964 -1.204547
H 1.286369 -1.971754 -1.758563
H 0.489065 -2.618483 1.151002
H 2.080200 -1.972057 0.663401
H 2.458625 -4.011263 -0.795078
H 0.883945 -4.662611 -0.292937
H 1.689363 -4.746868 2.123866
H 2.750127 -5.708750 1.054015
H 3.270616 -4.093504 1.613869
H 0.589432 1.120039 1.362487
H 2.007215 -0.005643 -2.588928
H 2.464963 2.762888 1.568684
H 3.923387 1.579398 -2.356488
H -4.590144 2.408973 0.874143
H -3.236550 3.092661 -0.077329
H -3.307048 -3.177081 1.214065
H -4.647421 -2.127296 1.718800


