%chk=000287138.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000287138

0 1
Br -3.263085 -0.235782 2.673740
P 1.431459 0.439935 -1.060344
O 2.695399 0.565092 -0.010844
O 0.809113 -1.065934 -0.728045
O -0.486316 0.653188 0.531863
O 1.879995 0.665772 -2.453297
O -2.524872 0.604599 -0.487004
C 0.074107 1.495476 -0.434505
C -2.007603 -1.001860 1.308570
C -0.313624 2.736479 -0.764145
C 2.422007 0.301347 1.394598
C 1.205742 -2.111197 -1.666083
C 3.654923 0.872025 2.098072
C 0.213617 -3.241756 -1.389833
C -1.768458 0.163084 0.336579
C -0.751615 -1.467824 2.011064
C -2.708722 -2.114875 0.553949
C -1.513575 3.365689 -0.144058
C 0.439136 3.548427 -1.763165
C 3.598372 0.621627 3.599428
C 0.602521 -4.066619 -0.167895
H 2.333678 -0.793498 1.524738
H 1.488850 0.802041 1.719348
H 2.250136 -2.397533 -1.440628
H 1.132396 -1.742269 -2.709230
H 4.568600 0.423029 1.656171
H 3.734766 1.956587 1.881661
H -0.801327 -2.798968 -1.230583
H 0.131611 -3.888497 -2.285189
H -0.017015 -1.850527 1.268384
H -0.251570 -0.653474 2.555248
H -0.953789 -2.272366 2.728902
H -2.038102 -2.542028 -0.220577
H -3.615988 -1.761899 0.037291
H -3.010636 -2.936480 1.216524
H -1.568809 3.170458 0.937873
H -2.435853 2.926319 -0.575949
H -1.563471 4.450369 -0.290470
H 1.000932 2.941358 -2.500561
H 1.176075 4.200280 -1.269560
H -0.225787 4.195602 -2.352806
H 2.718777 1.087919 4.058865
H 3.569046 -0.448613 3.834838
H 4.482579 1.037985 4.098373
H 1.573382 -4.558407 -0.297931
H 0.673853 -3.424134 0.724029
H -0.135554 -4.848746 0.040792


%chk=000287138-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000287138

0 1
Br -2.994448 0.543797 2.932736
P 1.607219 0.498292 -1.031421
O 2.851875 0.804316 0.145643
O 1.134556 -1.160466 -0.772486
O -0.510894 0.668885 0.674169
O 2.166503 0.821034 -2.486891
O -2.307927 -0.135839 -0.599813
C 0.062061 1.350013 -0.454467
C -2.038442 -0.888089 1.743673
C -0.469836 2.499035 -0.956077
C 2.600327 0.553076 1.590883
C 1.843592 -2.208895 -1.572993
C 3.912250 0.849979 2.320699
C 0.801860 -3.108605 -2.245098
C -1.678549 -0.105669 0.470923
C -0.821090 -1.394174 2.525811
C -3.074654 -1.974541 1.440519
C -1.749493 3.068488 -0.374051
C 0.143143 3.264068 -2.109601
C 3.770968 0.627803 3.843685
C -0.100915 -3.858970 -1.245087
H 2.290191 -0.501484 1.730225
H 1.784534 1.214945 1.944801
H 2.468899 -2.776762 -0.859045
H 2.488889 -1.718056 -2.326582
H 4.705356 0.199838 1.907490
H 4.209299 1.893756 2.109569
H 0.187116 -2.492998 -2.927653
H 1.352574 -3.837622 -2.874589
H -0.245173 -2.086705 1.881013
H -0.157102 -0.569118 2.821100
H -1.152314 -1.936040 3.427218
H -2.602548 -2.760911 0.819884
H -3.931916 -1.570117 0.881495
H -3.430793 -2.431539 2.377986
H -1.920503 2.751438 0.667790
H -2.612442 2.723301 -0.975937
H -1.731492 4.171742 -0.417166
H 1.003795 2.752909 -2.568789
H 0.460905 4.266571 -1.763594
H -0.625484 3.425211 -2.889698
H 2.997741 1.289244 4.277732
H 3.491293 -0.417576 4.074528
H 4.723658 0.841743 4.359538
H 0.496063 -4.505509 -0.573848
H -0.662290 -3.140122 -0.622968
H -0.831057 -4.498279 -1.773059


