%chk=000243983.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000243983

0 1
Br 6.903911 -2.529330 -0.618415
O -5.728661 -2.510385 0.401699
O -5.408029 -1.880026 -1.642445
N 0.901453 0.870334 0.769006
N 0.471342 2.840993 -0.275933
N -5.186522 -1.816741 -0.444261
C -1.289273 2.033010 1.361089
C -0.004277 1.939903 0.619312
C -2.298219 1.020138 0.890988
C 1.994122 1.138442 -0.080822
C 3.148997 0.257600 -0.205689
C 1.704381 2.357987 -0.709346
C -2.960229 0.202310 1.821232
C -2.591162 0.907839 -0.479364
C -3.907641 -0.724713 1.388907
C -3.534073 -0.015977 -0.921643
C 4.440820 0.812934 -0.222680
C 2.984790 -1.133497 -0.321489
C -4.187278 -0.831580 0.017871
C 5.559375 -0.013841 -0.347821
C 4.100967 -1.964681 -0.444670
C 5.376389 -1.394950 -0.454227
H -1.714361 3.062336 1.213952
H -1.108035 1.961504 2.456515
H 0.806250 0.066461 1.361523
H 2.292712 2.893312 -1.435310
H -2.744122 0.290842 2.885666
H -2.074860 1.551672 -1.198397
H -4.434093 -1.368059 2.103136
H -3.772857 -0.113983 -1.987098
H 4.569945 1.892574 -0.134332
H 1.986737 -1.569618 -0.335021
H 6.560993 0.420271 -0.360681
H 3.970408 -3.044483 -0.536955


%chk=000243983-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000243983

0 1
Br 6.785441 -2.712372 -0.901521
O -5.762481 -2.603381 0.357310
O -5.222842 -2.082950 -1.797437
N 0.837849 0.927209 0.719897
N 0.621345 3.088346 0.113291
N -5.100171 -1.926686 -0.521437
C -1.338689 2.091637 1.389423
C 0.015747 2.051824 0.737148
C -2.311087 1.024402 0.889553
C 2.035238 1.257006 0.057702
C 3.135360 0.314095 -0.162604
C 1.866983 2.606036 -0.302469
C -3.069135 0.251537 1.806493
C -2.487658 0.806586 -0.503963
C -3.987393 -0.717928 1.355379
C -3.400278 -0.154433 -0.975629
C 4.428341 0.796338 -0.512083
C 2.957858 -1.093224 -0.041853
C -4.138096 -0.907391 -0.034540
C 5.503175 -0.085910 -0.736543
C 4.027129 -1.988429 -0.254312
C 5.293415 -1.475210 -0.601353
H -1.742189 3.099339 1.178522
H -1.241973 2.017498 2.490396
H 0.618135 0.023835 1.137697
H 2.552828 3.243139 -0.856059
H -2.943018 0.413146 2.883280
H -1.905476 1.401256 -1.216833
H -4.580283 -1.321342 2.047725
H -3.553334 -0.331314 -2.043500
H 4.601381 1.874292 -0.594121
H 1.972307 -1.514713 0.189878
H 6.490173 0.303158 -1.002117
H 3.871300 -3.066796 -0.161025


