%chk=000189422.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000189422

0 1
Br 4.543118 2.919660 -1.597512
S -0.777486 -4.266385 -0.179715
N -0.012266 0.204646 0.178891
C 0.998891 -0.711376 0.126256
C -1.297344 -0.243803 0.138962
C 2.381813 -0.175292 0.186887
C -2.366421 0.782247 0.210761
C 0.761214 -2.093525 0.015591
C -1.615361 -1.616123 0.028327
C -0.567682 -2.530772 -0.035473
C 2.736463 0.938952 -0.591188
C 3.333287 -0.781586 1.022944
C -3.475530 0.581337 1.048605
C -2.270577 1.955344 -0.554177
C 4.047373 1.412318 -0.529102
C 4.638091 -0.284310 1.072139
C -4.486643 1.543226 1.106929
C -3.288296 2.911217 -0.493407
C 5.007540 0.816380 0.291470
C -4.396744 2.705959 0.333875
C -2.553657 -4.551438 -0.273526
H 1.594402 -2.792802 -0.042111
H -2.656622 -1.923150 -0.016232
H 1.986178 1.424745 -1.220864
H 3.052581 -1.633658 1.642334
H -3.542193 -0.315314 1.662729
H -1.395914 2.120909 -1.185313
H 5.374289 -0.754672 1.723836
H -5.344761 1.388864 1.758860
H -3.213177 3.820073 -1.088708
H 6.027788 1.199451 0.330245
H -5.187441 3.452935 0.380468
H -2.702477 -5.635859 -0.388293
H -3.010950 -4.057580 -1.139348
H -3.076485 -4.235217 0.636560


%chk=000189422-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000189422

0 1
Br 4.113291 3.645623 0.671218
S -0.806157 -4.431257 0.415472
N -0.003866 0.139216 0.094549
C 1.017343 -0.772296 0.171425
C -1.298027 -0.303434 0.111726
C 2.405163 -0.217177 0.147967
C -2.362307 0.741056 0.024745
C 0.771520 -2.162610 0.287551
C -1.616108 -1.687960 0.190142
C -0.566766 -2.626146 0.288255
C 2.586505 1.175963 0.367443
C 3.546641 -1.028430 -0.090184
C -3.707526 0.480484 0.403330
C -2.028455 2.041001 -0.443370
C 3.882126 1.716276 0.356391
C 4.838488 -0.462354 -0.098373
C -4.691590 1.487314 0.307107
C -3.011970 3.046113 -0.541934
C 5.024751 0.921130 0.128838
C -4.349761 2.774190 -0.169550
C -2.675602 -4.599909 0.437701
H 1.596470 -2.872184 0.393559
H -2.658579 -2.009867 0.152406
H 1.700965 1.792430 0.539620
H 3.436289 -2.098439 -0.292479
H -3.991207 -0.499230 0.803689
H -0.989360 2.236446 -0.723897
H 5.711876 -1.095120 -0.288620
H -5.721770 1.271484 0.611805
H -2.737173 4.040937 -0.909776
H 6.025336 1.362096 0.123935
H -5.114441 3.555347 -0.244550
H -2.865607 -5.679441 0.538031
H -3.112517 -4.236426 -0.505211
H -3.102976 -4.069427 1.302740


