%chk=000199316.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000199316

0 1
Br 2.252507 0.258103 -3.718107
S -0.836375 -1.937397 -0.747323
O -1.616114 -2.445765 -1.862413
O -0.113603 -2.855820 0.090469
N 0.337161 -0.980004 -1.665210
N 1.238336 0.002511 0.280676
N 3.154753 1.485614 0.152681
N -4.032224 1.900724 2.363427
C -1.754521 -0.834318 0.152813
C 1.284414 -0.160907 -1.089391
C -2.892370 -0.234456 -0.416315
C -1.396991 -0.522810 1.476567
C 2.267544 0.516466 -1.862189
C 3.200393 1.337115 -1.206672
C -3.663959 0.659753 0.306765
C -2.152430 0.367394 2.227034
C -3.293343 0.974790 1.642835
C 2.181380 0.815832 0.849329
C 4.262057 2.070402 -1.943913
C 2.141737 0.979815 2.330221
H 0.362318 -1.111946 -2.692216
H -3.178552 -0.486857 -1.445861
H -0.510038 -0.994973 1.923096
H -4.539120 1.117980 -0.143382
H -1.867581 0.598729 3.248195
H 4.901293 2.666035 -1.270653
H 4.918485 1.374938 -2.492463
H 3.830274 2.759681 -2.687346
H 1.152147 1.323725 2.668048
H 2.343070 0.019887 2.834552
H 2.894473 1.705546 2.680970
H -4.903195 2.253368 2.008567
H -3.856724 2.051146 3.340811


%chk=000199316-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000199316

0 1
Br 2.428235 0.318082 -3.877762
S -0.820883 -1.833864 -0.755825
O -1.675833 -2.423350 -2.008989
O 0.016423 -2.813230 0.220897
N 0.342261 -0.717516 -1.711418
N 1.378565 0.148461 0.215631
N 3.425489 1.446760 0.085125
N -4.492824 1.683404 2.502914
C -1.909842 -0.706652 0.239433
C 1.383276 -0.017125 -1.143101
C -3.101336 -0.256523 -0.358647
C -1.546688 -0.397204 1.562442
C 2.429783 0.561593 -1.927374
C 3.447060 1.298012 -1.286498
C -3.964810 0.547824 0.402651
C -2.418004 0.402056 2.318770
C -3.636541 0.890925 1.751147
C 2.397760 0.865248 0.773233
C 4.591714 1.944008 -2.025744
C 2.383780 1.018393 2.274250
H 0.336723 -0.954246 -2.711093
H -3.349824 -0.549324 -1.383644
H -0.605281 -0.771038 1.973912
H -4.900645 0.908342 -0.039050
H -2.161684 0.653841 3.354122
H 5.242082 2.452431 -1.298823
H 5.182232 1.193063 -2.582049
H 4.226798 2.677955 -2.767530
H 1.421734 1.445789 2.608924
H 2.490699 0.031529 2.759975
H 3.209990 1.670522 2.592225
H -5.364292 2.029416 2.111259
H -4.270916 1.926718 3.464240


