%chk=000223203.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000223203

0 1
Br -0.454501 -3.859337 0.652309
O 2.020089 -2.155243 -0.336693
N 2.964711 1.046278 0.328270
C -2.699710 1.034301 0.020739
C -1.465418 0.131319 -0.050589
C -2.825671 1.837145 -1.290409
C -2.519797 1.994286 1.213979
C -3.998792 0.230171 0.216922
C -0.229466 0.691723 -0.438964
C 0.936824 -0.064357 -0.505173
C -1.512820 -1.222747 0.285716
C 2.258998 0.544415 -0.899495
C 0.861456 -1.445533 -0.187548
C -0.357416 -2.009187 0.209738
C 2.395656 2.345438 0.791881
C 4.426736 1.188072 0.056251
H -3.737089 2.443807 -1.297812
H -1.983480 2.519982 -1.438354
H -2.865934 1.170380 -2.158796
H -1.634029 2.626309 1.098914
H -3.383714 2.656848 1.325966
H -2.403416 1.440783 2.152626
H -4.871139 0.892671 0.239718
H -4.157399 -0.484208 -0.598202
H -3.997399 -0.325774 1.160567
H -0.185102 1.752857 -0.694049
H -2.446884 -1.685909 0.610257
H 2.892677 -0.247964 -1.369757
H 2.108636 1.327003 -1.674229
H 1.349643 2.181998 1.100056
H 2.423670 3.158357 0.053072
H 2.941365 2.675250 1.690599
H 4.687188 1.894685 -0.744062
H 4.838230 0.197524 -0.199915
H 4.930865 1.511005 0.981517
H 1.935233 -3.099449 -0.031652


%chk=000223203-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000223203

0 1
Br -0.362362 -3.887054 0.579611
O 2.105126 -2.102089 -0.317562
N 3.092477 0.991302 0.316101
C -2.774353 1.046386 -0.031747
C -1.498253 0.173682 -0.083093
C -3.046652 1.647100 -1.444140
C -2.564498 2.206312 0.988362
C -4.023931 0.238490 0.401981
C -0.250899 0.746634 -0.457011
C 0.950468 0.012260 -0.511100
C -1.510012 -1.205656 0.233992
C 2.272094 0.668731 -0.878229
C 0.917917 -1.378879 -0.207213
C -0.319577 -1.952529 0.163000
C 2.544526 2.096746 1.120031
C 4.519592 1.168546 -0.007869
H -3.944770 2.292642 -1.417537
H -2.198978 2.261203 -1.797375
H -3.216423 0.845953 -2.186532
H -1.706007 2.843744 0.710529
H -3.464238 2.848921 1.027477
H -2.377301 1.808716 2.002650
H -4.905545 0.904495 0.423432
H -4.244622 -0.584383 -0.303080
H -3.904477 -0.189651 1.414611
H -0.200530 1.810871 -0.717987
H -2.434687 -1.704931 0.530349
H 2.860377 -0.028233 -1.500781
H 2.064118 1.581767 -1.495382
H 1.512924 1.860256 1.433093
H 2.525310 3.075501 0.571228
H 3.154483 2.228326 2.031612
H 4.724513 2.044729 -0.676313
H 4.901330 0.258991 -0.504210
H 5.094199 1.314911 0.924563
H 1.951464 -3.050913 -0.062060


