%chk=000255402.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000255402

0 1
Br -2.046732 -2.217428 -0.943941
F -3.776194 0.007353 -0.919878
O 1.635292 1.107793 -0.587454
O 4.359532 -0.837425 -0.612529
O -1.679991 1.666099 0.111891
O 2.912388 0.605827 2.609561
O 0.682824 -1.064625 1.845296
O -3.869934 -0.614659 1.782510
N -0.261836 -0.260539 -0.140809
N -1.587437 -0.905025 1.785828
C 1.012228 -0.144242 -0.915870
C 2.024927 -1.257496 -0.642950
C 3.168086 -0.608230 0.152864
C 2.869146 0.912311 0.165368
C -1.438062 0.497927 -0.656432
C 2.663829 1.535091 1.557079
C -2.644446 -0.427121 -0.340549
C -0.292587 -0.733641 1.194906
C -2.836730 -0.616762 1.174714
C -0.902307 2.826975 -0.269562
H 0.732393 -0.038716 -1.993080
H 2.427376 -1.669533 -1.594158
H 1.595869 -2.120829 -0.099369
H 3.287875 -1.033678 1.173653
H 3.623432 1.471739 -0.432754
H -1.316882 0.727133 -1.741224
H 1.642613 1.951364 1.647252
H 3.405967 2.333729 1.752542
H 5.147882 -0.828576 -0.032263
H -1.591781 -1.184464 2.780601
H 2.151020 -0.030809 2.693477
H 0.172969 2.595450 -0.240863
H -1.173560 3.547981 0.512645
H -1.217671 3.179027 -1.254902


%chk=000255402-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000255402

0 1
Br -2.234062 -2.370090 -1.373526
F -3.917748 -0.171381 -0.964405
O 1.672336 1.265954 -0.046568
O 4.372800 -1.126775 -0.494923
O -2.087506 1.620143 -0.070254
O 3.007348 0.683402 2.767210
O 0.623996 -0.652293 2.059106
O -3.962920 -1.254019 1.619044
N -0.333906 -0.084070 -0.015297
N -1.668597 -0.861805 1.793023
C 0.969142 0.145888 -0.688603
C 1.943661 -1.058823 -0.707842
C 3.146506 -0.668415 0.173529
C 3.086609 0.881599 0.262943
C -1.576315 0.397542 -0.653436
C 3.452227 1.480869 1.631805
C -2.703095 -0.634601 -0.418531
C -0.381087 -0.522433 1.304074
C -2.877815 -0.946995 1.085365
C -1.283014 2.816870 -0.398937
H 0.697826 0.448753 -1.717819
H 2.319536 -1.214381 -1.734298
H 1.459782 -1.989697 -0.375135
H 3.062851 -1.098297 1.187061
H 3.733131 1.308984 -0.530256
H -1.382135 0.509374 -1.739625
H 3.046814 2.513983 1.676577
H 4.552075 1.539296 1.723451
H 5.094424 -1.218424 0.175600
H -1.702198 -1.093736 2.791528
H 2.069934 0.372468 2.618105
H -0.252688 2.723356 -0.010137
H -1.804300 3.653024 0.088536
H -1.264117 2.976731 -1.495764


