%chk=000218744.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218744

0 1
Br -4.118484 -1.951882 1.807024
Br -8.721706 -1.054892 -1.462265
S 6.886176 -1.548148 0.435451
S 7.923319 -0.168269 -0.682705
O -3.334906 0.660786 0.487403
O 6.802170 0.000312 -1.921344
O 7.961412 1.076680 0.003407
O 9.059919 -0.784639 -1.279760
N 3.321705 0.379759 0.785492
N -5.208138 1.062869 -0.873560
C 0.996880 1.207888 0.690774
C -0.347523 1.130317 -0.041288
C 2.050882 0.329640 -0.002959
C -1.412256 1.983732 0.658683
C -2.759613 1.919512 -0.046454
C 4.418384 -0.392820 0.121907
C 5.539465 -0.548946 1.147285
C -4.549105 0.284317 0.038490
C -5.085997 -0.928867 0.553393
C -6.338632 -1.334822 0.106164
C -6.429425 0.649369 -1.298146
C -7.015813 -0.536408 -0.829264
H 0.879991 0.877730 1.744143
H 1.343495 2.257608 0.742917
H -0.228227 1.456747 -1.092330
H -0.697604 0.077698 -0.085388
H 1.704618 -0.728512 -0.024456
H 2.181126 0.646427 -1.060350
H -1.083246 3.039757 0.725246
H -1.536614 1.636969 1.709540
H 3.616216 1.356288 0.906104
H -3.440411 2.741812 0.231044
H -2.697953 1.831397 -1.143491
H 4.792453 0.088434 -0.813316
H 4.026405 -1.392485 -0.176641
H 5.919740 0.429207 1.509199
H 5.178546 -1.090259 2.050352
H -6.789699 -2.261941 0.477008
H -6.930627 1.299081 -2.030496
H 7.138375 -0.034046 -2.832612


%chk=000218744-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000218744

0 1
Br -3.943445 -2.404027 1.117597
Br -9.050279 -0.876905 -1.254191
S 6.821429 -1.724616 0.654340
S 8.300916 -0.117246 -0.530165
O -3.367677 0.577094 0.425597
O 7.906683 -0.688532 -2.259875
O 7.646414 1.357243 -0.329226
O 9.894290 -0.296113 -0.315929
N 3.290066 0.412973 0.491363
N -5.438651 1.176831 -0.547526
C 0.944678 1.246685 0.590429
C -0.479683 1.127568 0.005306
C 1.935187 0.268871 -0.071273
C -1.484003 2.071629 0.702414
C -2.906021 1.971488 0.150883
C 4.319384 -0.541646 0.063420
C 5.509563 -0.450833 1.036661
C -4.645258 0.247042 0.041122
C -5.104913 -1.082181 0.279835
C -6.411230 -1.431295 -0.099075
C -6.707475 0.848507 -0.920454
C -7.223323 -0.443657 -0.709174
H 0.925182 1.048625 1.679646
H 1.311289 2.287657 0.461097
H -0.456126 1.351745 -1.081610
H -0.839741 0.086150 0.108008
H 1.602266 -0.773102 0.105626
H 1.923705 0.422012 -1.178869
H -1.155634 3.125020 0.587296
H -1.505026 1.858638 1.788787
H 3.618852 1.386200 0.533688
H -3.601496 2.674097 0.644086
H -2.951519 2.145002 -0.940598
H 4.687497 -0.381506 -0.976713
H 3.881849 -1.557703 0.097414
H 5.997931 0.544094 0.960980
H 5.197572 -0.599792 2.086978
H -6.787946 -2.442289 0.074135
H -7.304592 1.634942 -1.390780
H 8.664584 -0.391271 -2.847049


