%chk=000257810.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257810

0 1
Br 2.772868 -0.002316 3.141851
N -0.149303 1.235350 -1.641829
N -0.149168 -1.237506 -1.640378
C 0.656157 -0.001133 -1.833151
C -1.740582 -0.000166 -0.241301
C -1.194469 1.251302 -0.686753
C -1.195235 -1.252106 -0.686234
C -2.852968 0.000374 0.640023
C 1.899595 -0.000405 -0.937803
C -1.729791 2.453904 -0.244806
C -1.731895 -2.454212 -0.244430
C -3.392518 1.251661 1.070457
C -3.393721 -1.250347 1.070472
C -2.842405 2.433945 0.632359
C -2.844690 -2.433185 0.632422
C 1.776338 -0.001498 0.457871
C 3.168773 0.001547 -1.529880
C 2.933059 -0.000727 1.238784
C 4.316586 0.002333 -0.730992
C 4.206447 0.001177 0.663011
H 0.967352 -0.001818 -2.923956
H 0.408111 2.089757 -1.710102
H 0.408676 -2.091832 -1.706343
H -1.327887 3.407482 -0.568388
H -1.330796 -3.408161 -0.567946
H -4.244178 1.248283 1.745120
H -4.245417 -1.246183 1.745083
H -3.256603 3.388771 0.960134
H -3.259952 -3.387593 0.960076
H 0.785463 -0.002846 0.924035
H 3.270393 0.002432 -2.615271
H 5.302986 0.003849 -1.195217
H 5.102574 0.001765 1.285582


%chk=000257810-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000257810

0 1
Br 2.834656 -0.002273 3.233280
N -0.163590 1.196062 -1.641596
N -0.163791 -1.196968 -1.640957
C 0.675752 -0.000597 -1.821573
C -1.764409 0.000063 -0.240963
C -1.214595 1.243685 -0.712114
C -1.214933 -1.243906 -0.711595
C -2.878208 0.000405 0.674114
C 1.930916 -0.000361 -0.921317
C -1.765493 2.462275 -0.272848
C -1.766217 -2.462163 -0.271885
C -3.414916 1.258946 1.105333
C -3.415292 -1.257809 1.105822
C -2.865765 2.455906 0.632531
C -2.866502 -2.455113 0.633476
C 1.818096 -0.001351 0.495981
C 3.215470 0.000994 -1.516841
C 2.989610 -0.000886 1.272574
C 4.380358 0.001442 -0.716032
C 4.278218 0.000511 0.692915
H 1.036992 -0.000870 -2.870533
H 0.262534 2.080680 -1.918331
H 0.262030 -2.081815 -1.917413
H -1.350455 3.414036 -0.625534
H -1.351455 -3.414186 -0.624188
H -4.259225 1.268819 1.803150
H -4.259602 -1.267161 1.803643
H -3.280251 3.414622 0.964558
H -3.281280 -3.413577 0.965865
H 0.834612 -0.002492 0.974241
H 3.305868 0.001671 -2.610788
H 5.371572 0.002479 -1.181969
H 5.173094 0.000831 1.321494


