%chk=000213844.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000213844

0 1
Br 5.839856 0.178604 -0.076217
N -2.425139 -0.710439 0.660002
N -0.243575 0.220478 0.544127
C -2.169407 -2.705721 -0.702260
C -3.209561 -1.741299 -0.092395
C -0.790965 -2.078950 -0.433698
C -1.060183 -0.755449 0.265129
C -3.089702 0.593281 0.900527
C 1.161752 0.140232 0.343744
C -3.362674 1.380612 -0.353809
C 1.779726 1.051585 -0.556135
C 1.948291 -0.738201 1.110580
C 3.174405 1.050942 -0.667469
C 0.956929 1.991958 -1.371573
C 3.340659 -0.726094 0.993866
C -4.507108 2.019463 -0.581492
C 3.933077 0.165159 0.101942
H -2.342778 -2.844323 -1.782918
H -2.243782 -3.707134 -0.243460
H -3.854565 -1.288600 -0.872713
H -3.873103 -2.256661 0.633072
H -0.221133 -1.916846 -1.367164
H -0.161153 -2.730911 0.200803
H -4.019584 0.391671 1.479103
H -2.423751 1.199398 1.571093
H -2.529260 1.410900 -1.059658
H 1.470921 -1.416004 1.816553
H 3.663741 1.744012 -1.353352
H 0.393820 1.456039 -2.148032
H 0.214784 2.509705 -0.739744
H 1.557715 2.763358 -1.868142
H 3.944188 -1.404861 1.596454
H -4.688431 2.607659 -1.470225
H -5.348009 2.016338 0.096961


%chk=000213844-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000213844

0 1
Br 5.999810 -0.024344 0.214314
N -2.406712 -0.546586 0.260346
N -0.200529 0.296388 0.282362
C -2.143674 -2.814662 -0.381161
C -3.199632 -1.683185 -0.249545
C -0.804194 -2.060836 -0.596622
C -1.041911 -0.680971 0.037490
C -3.022712 0.697753 0.744907
C 1.204162 0.160831 0.229696
C -3.714478 1.477171 -0.361030
C 1.957457 1.095920 -0.554829
C 1.901133 -0.798116 1.019242
C 3.370163 1.021739 -0.547124
C 1.237854 2.142375 -1.380449
C 3.310921 -0.865124 1.025152
C -5.026840 1.818519 -0.356394
C 4.029403 0.047179 0.229805
H -2.381255 -3.508414 -1.204047
H -2.102224 -3.396832 0.556198
H -3.668266 -1.437734 -1.225143
H -4.011295 -1.936712 0.457501
H -0.583738 -1.914875 -1.671847
H 0.063296 -2.576044 -0.157033
H -3.743426 0.462805 1.552354
H -2.195839 1.297505 1.170725
H -3.069023 1.774924 -1.200655
H 1.329218 -1.473478 1.665990
H 3.949853 1.729549 -1.148230
H 0.656187 1.679119 -2.200319
H 0.510147 2.691791 -0.755612
H 1.946154 2.861404 -1.826478
H 3.830671 -1.603418 1.642651
H -5.474078 2.400603 -1.169774
H -5.690602 1.535660 0.471058


