%chk=000294140.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000294140

0 1
Br -4.737447 1.872819 -1.565573
O -3.404463 -1.397525 0.310782
N -1.680475 0.172983 0.424836
N -3.926049 0.754912 0.948653
C 0.714143 -0.118520 0.112850
C 1.154115 1.309098 0.349339
C 1.840540 -0.942052 -0.175532
C 2.654672 1.235039 0.170832
C 3.048156 -0.102375 -0.139620
C -0.567979 -0.680086 0.140387
C 1.697007 -2.298914 -0.431342
C 3.595715 2.245848 0.270166
C 4.383714 -0.414419 -0.348020
C -0.712052 -2.061731 -0.120406
C 0.403674 -2.845953 -0.399500
C 4.948592 1.921136 0.057401
C 5.335833 0.615623 -0.246039
C -3.027105 -0.256414 0.519326
C -5.372081 0.472404 0.816503
C -5.802266 0.499925 -0.650110
H 0.888458 1.661165 1.363832
H 0.698644 2.007044 -0.378409
H 2.557867 -2.923027 -0.650497
H 3.307230 3.266202 0.505622
H 4.691729 -1.429998 -0.584917
H -1.709081 -2.517687 -0.103370
H 0.269328 -3.909960 -0.598039
H -1.454132 1.148275 0.616387
H 5.700971 2.705065 0.131921
H 6.387841 0.386413 -0.406915
H -3.660857 1.737259 0.927864
H -5.588250 -0.536115 1.252276
H -5.928724 1.225054 1.418072
H -6.868482 0.737120 -0.782864
H -5.585786 -0.460708 -1.157796


%chk=000294140-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000294140

0 1
Br -5.882702 2.877722 -0.958780
O -3.426410 -1.583136 0.349126
N -1.650795 -0.017423 0.370901
N -3.866741 0.693851 0.630032
C 0.753761 -0.245498 0.113306
C 1.117571 1.228241 0.275396
C 1.925728 -1.023002 -0.103703
C 2.636970 1.215614 0.127992
C 3.092872 -0.118625 -0.094508
C -0.521568 -0.856306 0.153023
C 1.843797 -2.420903 -0.285053
C 3.546537 2.284923 0.183953
C 4.469756 -0.384085 -0.262835
C -0.609797 -2.265486 -0.027354
C 0.565314 -3.021841 -0.243298
C 4.929174 2.017593 0.015064
C 5.384209 0.693688 -0.206357
C -3.001191 -0.391345 0.437981
C -5.312930 0.487720 0.687605
C -6.044405 0.872826 -0.602631
H 0.814574 1.634282 1.263529
H 0.644695 1.869011 -0.498445
H 2.741201 -3.025337 -0.452709
H 3.201503 3.311435 0.354497
H 4.828878 -1.404985 -0.434509
H -1.589210 -2.745149 0.006554
H 0.470590 -4.105045 -0.379446
H -1.434885 0.972254 0.503858
H 5.652140 2.839937 0.055772
H 6.456044 0.505221 -0.334830
H -3.531914 1.657911 0.583226
H -5.468661 -0.595919 0.853988
H -5.742716 1.037816 1.544558
H -7.127613 0.689748 -0.536307
H -5.610776 0.392191 -1.491498


