%chk=000195641.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000195641

0 1
Br -6.920052 -0.872474 -2.120074
S 2.122155 1.233001 -1.421103
S 3.581619 -0.106587 -0.896105
N -0.298226 1.663336 0.729318
N 0.840637 -1.153285 0.537155
C -1.315465 -0.530183 1.681247
C -2.147557 -0.881346 0.432609
C -1.075690 0.995434 1.810788
C -0.008965 -1.355083 1.748864
C 1.940761 2.481261 -0.057901
C 2.917615 -1.815585 -0.692781
C 1.131010 1.895361 1.109586
C 2.101618 -1.945445 0.605812
C -3.605066 -0.418982 0.562036
C -4.422240 -0.814552 -0.677456
C 1.231923 3.623479 -0.774890
C 3.328595 2.889075 0.415789
C 2.139006 -2.202116 -1.939136
C 4.209911 -2.625116 -0.567770
C -5.858105 -0.331804 -0.547746
H -1.911748 -0.830971 2.583840
H -1.691793 -0.418666 -0.466943
H -2.119387 -1.974605 0.260931
H -0.629084 1.208250 2.804467
H -2.070160 1.505536 1.808671
H -0.265106 -2.423950 1.923047
H 0.578387 -1.025666 2.635760
H 1.636022 0.978059 1.489984
H 1.132180 2.630552 1.947392
H 1.925521 -3.025845 0.814822
H 2.699467 -1.557929 1.463954
H -4.062162 -0.853588 1.471617
H -3.634160 0.681638 0.699243
H -0.329402 1.082189 -0.120406
H 0.313537 -1.408713 -0.305856
H -3.954346 -0.389898 -1.590311
H -4.394246 -1.915061 -0.814845
H 1.004560 4.434590 -0.069167
H 0.261566 3.319371 -1.195815
H 1.832523 4.049398 -1.587590
H 3.856193 2.075055 0.930725
H 3.277753 3.733205 1.115226
H 3.970699 3.208444 -0.416871
H 1.275036 -1.546495 -2.117970
H 1.766230 -3.231527 -1.881019
H 2.761980 -2.136709 -2.843320
H 4.857521 -2.506857 -1.449320
H 3.997181 -3.697918 -0.479636
H 4.807602 -2.337984 0.307314
H -5.924109 0.768333 -0.490800
H -6.366139 -0.760326 0.332533


%chk=000195641-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000195641

0 1
Br -7.101178 -1.271579 -2.068481
S 2.379220 1.440810 -1.561663
S 3.822643 -0.130460 -0.786842
N -0.120136 1.614464 0.582570
N 0.746585 -1.287651 0.497158
C -1.323458 -0.421408 1.649167
C -2.207683 -0.910479 0.464664
C -1.061151 1.117832 1.617841
C -0.022503 -1.259674 1.763059
C 2.098190 2.625712 -0.026582
C 2.903435 -1.848611 -0.700031
C 1.244598 1.918980 1.049169
C 2.038640 -1.987434 0.577388
C -3.687431 -0.469164 0.559746
C -4.529012 -1.003127 -0.628957
C 1.372411 3.829492 -0.665864
C 3.468664 3.024664 0.547281
C 2.102463 -2.067371 -1.995167
C 4.104220 -2.822756 -0.606912
C -5.989426 -0.563914 -0.513620
H -1.897998 -0.618791 2.581416
H -1.791465 -0.550510 -0.499730
H -2.177316 -2.020764 0.427753
H -0.675688 1.424623 2.610660
H -2.040244 1.628991 1.500332
H -0.291361 -2.289973 2.114721
H 0.626663 -0.819485 2.546275
H 1.811116 1.016285 1.384809
H 1.172854 2.611045 1.913940
H 1.913833 -3.087321 0.773704
H 2.604687 -1.576940 1.434553
H -4.114761 -0.836595 1.515829
H -3.749411 0.636703 0.588105
H -0.046352 0.953628 -0.205574
H 0.174963 -1.659979 -0.272683
H -4.104422 -0.633151 -1.581431
H -4.475050 -2.108140 -0.658566
H 1.221174 4.604284 0.111035
H 0.377507 3.538624 -1.039629
H 1.970293 4.271356 -1.482983
H 4.004886 2.146460 0.949911
H 3.329000 3.754358 1.369626
H 4.099288 3.491002 -0.229181
H 1.367851 -1.257772 -2.152452
H 1.566580 -3.037833 -1.956070
H 2.777030 -2.081329 -2.868277
H 4.788641 -2.693573 -1.462850
H 3.732258 -3.865349 -0.615328
H 4.680069 -2.673319 0.325125
H -6.111711 0.529435 -0.563197
H -6.486403 -0.963990 0.384132


