%chk=000191638.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000191638

0 1
Br 3.886014 2.065207 -2.475850
P -3.376488 -1.104117 -0.603960
P -2.131194 -2.893198 1.586596
O -1.331966 2.590400 -0.934743
O 0.919207 2.612868 -3.162347
O 1.799470 3.512046 -0.986630
O -2.664107 0.326384 -0.959347
O 1.540225 1.882266 2.007975
O -2.306650 -1.631782 0.529074
O -4.597295 -0.539698 0.325663
O -3.687631 -2.040390 -1.678544
O -1.669412 -0.251174 4.467327
O -0.826860 -3.627377 0.919754
O -1.453962 -2.101885 2.835006
O -3.316937 -3.703283 1.830592
O 3.653588 -1.658603 -3.257510
N -0.637321 1.979772 1.221356
N -0.088827 0.883304 3.294655
N 3.270123 -0.511703 -1.281388
C 0.594842 1.763354 -2.085902
C 1.042093 2.335911 -0.706676
C -0.946134 1.614283 -1.941350
C -0.273135 2.785330 0.000009
C -1.317899 0.191353 -1.497124
C 0.361223 1.602605 2.172751
C -1.991809 1.630246 1.409189
C -2.385889 0.916248 2.489530
C -1.454027 0.450467 3.494599
C 0.170810 -2.790592 0.403261
C 0.882159 -1.889708 1.206991
C 0.480570 -2.993763 -0.948447
C 2.239548 -1.340967 -0.731387
C 1.912515 -1.152417 0.628981
C 1.527960 -2.270925 -1.514092
C 3.888792 -0.716977 -2.534388
C 4.819895 0.417683 -2.902498
H 1.109690 0.809410 -2.347880
H 1.650592 1.612654 -0.122648
H -1.519110 1.948631 -2.833868
H -0.294436 3.872869 0.253596
H -1.305376 -0.501940 -2.364175
H -0.654530 -0.186306 -0.688469
H 0.831654 3.568164 -2.908813
H 2.397421 3.712963 -0.224157
H -2.691380 1.961613 0.613994
H 0.618872 0.607094 3.991506
H -3.433683 0.633576 2.628239
H -5.479282 -1.002834 0.249267
H -1.972958 -2.004543 3.706419
H 0.640888 -1.769467 2.269019
H -0.086200 -3.722122 -1.532618
H 2.467557 -0.441505 1.245342
H 1.805656 -2.444696 -2.561450
H 3.667809 0.174307 -0.628992
H 5.787562 0.375656 -2.372223
H 5.045360 0.396110 -3.989913


%chk=000191638-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000191638

0 1
Br 8.036610 -4.029877 -1.505404
P -2.273063 -0.874019 -1.141706
P -1.147569 -2.360240 1.341987
O -3.430155 3.354038 -0.291343
O -2.547161 5.520135 -2.119739
O -0.971592 5.904565 0.004175
O -2.757038 0.778615 -1.006046
O -0.495307 4.547450 2.486552
O -1.093976 -1.022186 0.199380
O -3.651738 -1.632719 -0.563797
O -1.637879 -1.270483 -2.535016
O -0.338875 0.121248 3.923543
O -0.375265 -3.667842 0.549717
O -0.156561 -1.970861 2.594979
O -2.696134 -2.687319 1.615106
O 4.650503 -2.882844 -3.760614
N -2.098987 3.028208 1.675583
N -0.540141 2.349827 3.309440
N 4.886600 -3.628948 -1.534745
C -1.787745 4.358781 -1.700199
C -1.300332 4.517905 -0.230353
C -2.732550 3.144613 -1.600413
C -2.527734 4.023575 0.610651
C -1.937640 1.820348 -1.656383
C -1.018791 3.394054 2.502730
C -2.757811 1.815225 1.807679
C -2.287475 0.827823 2.646207
C -1.039027 1.032457 3.337228
C 0.959650 -3.584512 0.027774
C 2.039774 -3.960574 0.850526
C 1.143515 -3.207892 -1.317320
C 3.545316 -3.594587 -1.052734
C 3.335572 -3.966695 0.302713
C 2.443246 -3.213607 -1.864737
C 5.351897 -3.295480 -2.786108
C 6.854664 -3.434999 -3.058862
H -0.931277 4.177760 -2.382035
H -0.425719 3.862523 -0.050240
H -3.535035 3.167045 -2.351382
H -3.051945 4.863780 1.098000
H -1.741133 1.552909 -2.711904
H -0.968892 1.894647 -1.124001
H -2.147680 6.312876 -1.668566
H -0.631817 5.968743 0.938111
H -3.622927 1.688113 1.154399
H 0.310604 2.545463 3.849089
H -2.803498 -0.129875 2.729213
H -3.506865 -2.174626 0.318467
H -0.291181 -1.119464 3.247427
H 1.862289 -4.238300 1.893009
H 0.285925 -2.909972 -1.930632
H 4.185847 -4.260628 0.930232
H 2.609430 -2.927347 -2.904508
H 5.602205 -3.938754 -0.866542
H 7.014426 -4.184903 -3.848261
H 7.258041 -2.462372 -3.377024


