%chk=000271282.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000271282

0 1
Br 5.701845 1.706941 0.402353
N 0.872398 -0.571515 -0.101993
C 3.101982 0.451955 0.125526
C 2.255700 -0.675497 -0.102611
C 0.309932 0.624057 0.118884
C 2.469480 1.713253 0.359039
C 1.102556 1.804504 0.356927
C 4.511774 0.234680 0.103344
C 2.828881 -1.969353 -0.343173
C -1.157570 0.738117 0.118922
C -3.450924 -0.189452 -0.062179
C 5.051392 -1.005017 -0.127159
C 4.190336 -2.120574 -0.353349
C -1.983872 -0.303836 -0.067239
C -4.100409 0.881034 -0.698679
C -4.214504 -1.179551 0.581459
C -5.495529 0.961288 -0.686028
C -5.607704 -1.089049 0.596966
C -6.250721 -0.020014 -0.036851
H 3.082881 2.599800 0.538544
H 0.600527 2.753608 0.533211
H 2.150778 -2.808031 -0.514062
H -1.543057 1.745744 0.293117
H 6.130385 -1.167348 -0.143380
H 4.644437 -3.095683 -0.534460
H -1.591136 -1.317628 -0.226536
H -3.516609 1.643581 -1.211734
H -3.718019 -2.014241 1.074503
H -5.994754 1.791179 -1.183873
H -6.195173 -1.854266 1.102213
H -7.337004 0.046013 -0.025903


%chk=000271282-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000271282

0 1
Br 5.851344 1.689070 -0.044214
N 0.873187 -0.533861 0.013094
C 3.153549 0.463713 -0.011767
C 2.245530 -0.678257 0.020366
C 0.337617 0.714873 -0.025441
C 2.557201 1.766275 -0.051573
C 1.172360 1.890950 -0.058373
C 4.558514 0.194568 -0.001147
C 2.781908 -2.006761 0.060949
C -1.123752 0.867837 -0.032583
C -3.465038 -0.127086 -0.007441
C 5.067885 -1.102970 0.038777
C 4.161640 -2.210445 0.069995
C -1.997830 -0.187267 -0.002560
C -4.202979 1.094062 -0.043111
C -4.196919 -1.350332 0.025189
C -5.610747 1.086557 -0.046045
C -5.607058 -1.358611 0.022192
C -6.321829 -0.139028 -0.013505
H 3.200843 2.650785 -0.076247
H 0.701814 2.879183 -0.088671
H 2.072223 -2.838412 0.084157
H -1.491061 1.901779 -0.064495
H 6.147365 -1.276034 0.046129
H 4.571152 -3.225449 0.101147
H -1.545201 -1.188288 0.028404
H -3.673232 2.052821 -0.068503
H -3.644776 -2.297829 0.053128
H -6.160215 2.034294 -0.073727
H -6.147806 -2.311095 0.047703
H -7.417389 -0.140341 -0.016028


