%chk=000270988.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000270988

0 1
Br 0.376560 -1.623798 0.263007
Br -1.223226 3.568013 0.361678
S -5.186845 -0.397460 -0.052117
O -5.329461 -1.784595 0.342863
O -6.024430 0.634355 0.524314
N -5.507329 -0.362036 -1.741725
N 0.510091 1.157632 0.086026
N 1.290502 0.366388 0.696123
N 4.580318 -1.181672 0.004271
N 2.447209 -2.188400 0.452037
N 6.692271 -0.333698 -0.584964
C -3.529704 0.067777 0.067836
C -3.202997 1.424142 0.168199
C -2.537132 -0.934364 0.069560
C -0.870389 0.810455 0.237836
C -1.211260 -0.565022 0.171620
C -1.859061 1.795774 0.247757
C 2.678530 0.315256 0.318040
C 3.262550 -0.975192 0.264497
C 3.503856 1.431592 0.068792
C 4.851405 1.248545 -0.194580
C 5.371042 -0.076766 -0.235446
H -3.988232 2.190335 0.193630
H -2.821205 -1.991763 0.013691
H -5.685655 -1.243346 -2.216965
H -6.147909 0.344373 -2.095734
H 3.063050 2.434056 0.086690
H 5.498347 2.099546 -0.391223
H 2.588515 -2.542116 1.414208
H 2.778576 -2.934945 -0.181404
H 7.374354 0.401369 -0.502492
H 7.045158 -1.275934 -0.484224


%chk=000270988-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000270988

0 1
Br -0.424342 -2.564600 -0.673630
Br -0.800349 3.176975 0.659541
S -5.442980 -0.085960 0.152058
O -5.782514 -1.655782 0.421021
O -6.013813 1.137500 1.062295
N -5.963363 0.272271 -1.573107
N 0.610499 0.602376 -0.168394
N 1.455126 -0.286762 0.314922
N 5.074389 -0.949541 0.454025
N 3.229491 -2.116325 1.295462
N 6.941361 0.163595 -0.363603
C -3.574689 0.082359 0.089188
C -3.015653 1.345238 0.338027
C -2.818318 -1.064151 -0.188647
C -0.765294 0.325327 -0.001826
C -1.417231 -0.932793 -0.220524
C -1.617665 1.443119 0.281170
C 2.804391 -0.058515 0.061657
C 3.720887 -1.043399 0.606778
C 3.363153 1.037879 -0.664935
C 4.741695 1.140011 -0.825669
C 5.571145 0.113320 -0.241674
H -3.647024 2.201137 0.591399
H -3.308212 -2.028624 -0.350320
H -6.416397 -0.572140 -1.959048
H -6.577780 1.102676 -1.559808
H 2.677621 1.785627 -1.075656
H 5.194666 1.973121 -1.371677
H 2.217821 -2.198199 1.405484
H 3.874204 -2.803776 1.678320
H 7.405291 0.916191 -0.864633
H 7.491383 -0.579654 0.063605


