%chk=000250942.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000250942

0 1
Br 7.513328 0.256415 0.093675
O -0.337169 -2.633580 -0.986953
N -3.324832 -0.086182 -0.254412
N 1.501969 -0.818138 -0.338593
N -1.851978 1.645274 0.311682
N 0.594397 1.291432 0.286774
N -1.225747 -1.842689 -0.756619
N -0.349258 3.354928 0.906068
C -5.803527 0.060302 -0.271425
C -4.492026 0.804427 -0.006940
C -6.146881 -0.947569 0.833972
C -2.040131 0.337973 -0.088860
C -7.452061 -1.680965 0.538602
C -0.918410 -0.556491 -0.333932
C 0.410815 -0.001424 -0.116100
C 2.891046 -0.489656 -0.212980
C -0.546402 2.062177 0.483429
C 3.789185 -1.318625 -0.923836
C 3.378740 0.553076 0.591788
C 5.161226 -1.095373 -0.830160
C 4.755520 0.772876 0.678698
C 5.632428 -0.049515 -0.030338
H -5.774533 -0.448612 -1.256153
H -6.620816 0.806107 -0.360249
H -4.445557 1.187448 1.040712
H -4.407963 1.702990 -0.664646
H -6.222489 -0.425184 1.808741
H -5.325204 -1.681314 0.953229
H -3.512001 -1.046811 -0.550509
H -7.398336 -2.246971 -0.398732
H -7.692008 -2.395567 1.335282
H -8.298586 -0.989590 0.456298
H 1.289944 -1.788832 -0.686064
H 3.419166 -2.129969 -1.550758
H 2.693552 1.197990 1.149930
H 5.855014 -1.733883 -1.380501
H 5.133256 1.584932 1.302998
H 0.584022 3.729036 0.980812
H -1.132293 3.980854 1.010869


%chk=000250942-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000250942

0 1
Br 7.612764 -0.076380 -0.127648
O -0.304911 -2.504355 -0.872508
N -3.323645 0.064019 -0.069140
N 1.444482 -0.659090 -0.294868
N -1.861935 1.812939 0.498803
N 0.587968 1.476058 0.383038
N -1.288764 -1.645841 -0.600518
N -0.357086 3.500751 1.033359
C -5.801600 0.083595 -0.218402
C -4.534551 0.863278 0.183091
C -6.073780 -1.177523 0.637314
C -2.059121 0.529177 0.086113
C -7.386287 -1.884953 0.237230
C -0.940254 -0.370806 -0.199624
C 0.399766 0.187524 -0.025235
C 2.841766 -0.452034 -0.231635
C -0.551768 2.209351 0.621326
C 3.662688 -1.564377 -0.573535
C 3.455340 0.774950 0.143410
C 5.066348 -1.460648 -0.544511
C 4.861788 0.879475 0.172728
C 5.654743 -0.233855 -0.170245
H -5.740315 -0.197203 -1.289834
H -6.664418 0.771851 -0.125462
H -4.574738 1.141155 1.255383
H -4.459089 1.810040 -0.384225
H -6.115497 -0.886591 1.706268
H -5.233974 -1.895972 0.546265
H -3.391799 -0.913884 -0.376648
H -7.357442 -2.207135 -0.820611
H -7.564798 -2.781445 0.857773
H -8.254394 -1.210125 0.359466
H 1.076796 -1.609390 -0.593937
H 3.198546 -2.514188 -0.863173
H 2.821407 1.622845 0.404789
H 5.687724 -2.320695 -0.808750
H 5.331072 1.824414 0.461471
H 0.590587 3.852260 1.143856
H -1.168221 4.084104 1.223624


