%chk=000190586.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000190586

0 1
Br 3.567884 2.413444 -0.594594
O 1.716222 0.178043 -1.880308
O 0.974282 -0.943400 1.457953
O 0.746439 3.628237 0.305067
O 3.718806 -0.832818 -2.198207
O 0.669696 -3.152542 1.090932
N -4.330595 -0.134662 0.756445
C 1.873884 0.103295 -0.439721
C 0.606960 -0.617149 0.074633
C 1.954677 1.530723 0.097606
C 0.707516 2.339206 -0.298919
C -0.637597 0.230545 0.163075
C -0.574182 1.604802 0.051303
C -1.907825 -0.408009 0.376757
C -1.749125 2.407376 0.193628
C -3.068045 0.405054 0.529309
C -2.964858 1.833027 0.440370
C -2.094259 -1.826640 0.430715
C 2.766403 -0.276072 -2.679360
C 0.993588 -2.271055 1.850338
C -3.343521 -2.349167 0.646823
C -4.452231 -1.456870 0.814716
C 2.437627 0.041177 -4.091090
C 1.447041 -2.342630 3.261880
H 2.792013 -0.489556 -0.189069
H 0.435371 -1.556565 -0.509156
H 2.071753 1.500807 1.208235
H 0.712105 2.585040 -1.395351
H -1.642902 3.493225 0.100582
H -3.874068 2.426121 0.564092
H 0.739632 3.568546 1.284552
H -1.233726 -2.491847 0.291898
H -3.511737 -3.423361 0.689983
H -5.457450 -1.859146 0.996365
H 3.070780 0.867666 -4.457947
H 1.387932 0.353351 -4.222810
H 2.621817 -0.826539 -4.744824
H 1.605644 -1.347360 3.709618
H 2.396456 -2.899150 3.340010
H 0.708794 -2.875845 3.884172


%chk=000190586-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000190586

0 1
Br 3.751800 2.484284 -0.304893
O 1.703209 0.406842 -1.864874
O 1.089716 -0.860123 1.593669
O 0.800148 3.700498 0.700474
O 2.935476 -1.529539 -2.303618
O 0.852209 -3.156239 1.210955
N -4.343127 -0.098788 0.398815
C 1.916545 0.203122 -0.410789
C 0.694535 -0.548603 0.163545
C 2.026559 1.574854 0.246516
C 0.812035 2.457359 -0.081014
C -0.574862 0.280098 0.176063
C -0.507121 1.682683 0.086430
C -1.861717 -0.368674 0.281722
C -1.707102 2.467321 0.107997
C -3.065243 0.440224 0.301929
C -2.956115 1.864386 0.213567
C -2.037464 -1.792012 0.365967
C 2.304246 -0.540149 -2.726511
C 1.167048 -2.215284 1.971329
C -3.325838 -2.322651 0.457730
C -4.450462 -1.439167 0.473234
C 2.067900 -0.148842 -4.164747
C 1.666394 -2.331292 3.392361
H 2.823578 -0.406793 -0.260672
H 0.577598 -1.511503 -0.363387
H 2.135384 1.431895 1.335271
H 0.895088 2.809531 -1.123155
H -1.613104 3.555408 0.039766
H -3.882749 2.445679 0.227828
H 0.686269 3.478009 1.660975
H -1.175086 -2.466150 0.365053
H -3.483897 -3.403720 0.519469
H -5.468658 -1.839715 0.548104
H 2.635992 0.769964 -4.395525
H 1.001106 0.072346 -4.335126
H 2.399974 -0.958944 -4.829393
H 1.069445 -1.689838 4.062191
H 2.714431 -1.988377 3.452122
H 1.607060 -3.378797 3.720322


