%chk=000252553.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000252553

0 1
Br 7.011950 -0.217141 -0.539209
O 0.673430 0.327661 1.768292
N -1.336953 0.016203 -0.280506
C -2.128083 1.195141 -0.764763
C -1.896249 -1.278437 -0.793680
C -1.918199 2.375062 0.198119
C -3.134951 -1.653766 0.036233
C 0.116957 0.149762 -0.605420
C -2.649765 3.647041 -0.278203
C -3.755198 -2.989429 -0.422674
C 0.911459 -0.451655 0.580917
C -4.171780 3.497925 -0.157444
C -2.167508 4.859285 0.530194
C -2.861949 -4.179516 -0.049951
C -5.150049 -3.156803 0.195660
C 2.400520 -0.390718 0.319959
C 2.986752 -1.316699 -0.555710
C 3.194376 0.580513 0.945398
C 4.359557 -1.267836 -0.814297
C 4.568500 0.635347 0.696014
C 5.132151 -0.289438 -0.184973
H -3.206739 0.917581 -0.774574
H -1.870126 1.488998 -1.804062
H -1.127077 -2.073918 -0.680816
H -2.150696 -1.238358 -1.874135
H -2.262393 2.092816 1.211796
H -0.835576 2.586428 0.307893
H -2.861448 -1.704171 1.108413
H -3.890185 -0.846025 -0.030336
H 0.394379 1.223784 -0.705486
H 0.413392 -0.334046 -1.557510
H -2.397338 3.822895 -1.353893
H -3.867815 -2.968365 -1.535550
H 0.584315 -1.493990 0.806458
H -4.544697 2.664433 -0.760926
H -4.477736 3.315411 0.878666
H -4.687248 4.403907 -0.493931
H -2.668868 5.777685 0.206413
H -2.369655 4.738705 1.600208
H -1.089866 5.017105 0.415857
H -1.871209 -4.099796 -0.508317
H -2.716141 -4.249948 1.033894
H -3.302462 -5.126160 -0.380815
H -5.611324 -4.100459 -0.115243
H -5.108851 -3.161319 1.290550
H -5.824266 -2.348358 -0.104989
H -0.300877 0.477975 1.860538
H 2.378487 -2.081225 -1.036344
H 2.726161 1.286181 1.639266
H 4.813862 -1.987352 -1.495781
H 5.183631 1.390284 1.186898


%chk=000252553-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000252553

0 1
Br 7.051559 0.687171 -0.226311
O 0.404051 -0.305114 1.646093
N -1.325051 -0.092544 -0.373281
C -2.072364 1.133243 -0.783219
C -2.010448 -1.367861 -0.738822
C -1.802470 2.334102 0.147906
C -3.187328 -1.708516 0.199803
C 0.111160 -0.074435 -0.758240
C -2.421919 3.667685 -0.350181
C -3.992889 -2.962459 -0.235018
C 0.943035 -0.769542 0.374950
C -3.966735 3.600263 -0.434533
C -1.980604 4.835855 0.563057
C -3.135596 -4.251421 -0.199359
C -5.248507 -3.125265 0.654742
C 2.422453 -0.439995 0.260561
C 3.214812 -1.063907 -0.735015
C 3.021871 0.510514 1.120342
C 4.580403 -0.735226 -0.889235
C 4.387644 0.848827 0.983816
C 5.147733 0.223695 -0.025183
H -3.148825 0.888576 -0.762618
H -1.828994 1.412466 -1.837061
H -1.258357 -2.175832 -0.683621
H -2.369249 -1.334660 -1.796576
H -2.193041 2.097363 1.158443
H -0.708400 2.471183 0.261962
H -2.794430 -1.857197 1.225811
H -3.879961 -0.844398 0.249956
H 0.443947 0.975796 -0.828481
H 0.302468 -0.559908 -1.740809
H -2.029713 3.863198 -1.372099
H -4.332665 -2.802842 -1.281684
H 0.811143 -1.872777 0.287319
H -4.313106 2.842123 -1.160577
H -4.398420 3.348827 0.554050
H -4.385817 4.574857 -0.746490
H -2.381150 5.800609 0.200025
H -2.349225 4.684828 1.596024
H -0.878574 4.918861 0.607309
H -2.286697 -4.209691 -0.905978
H -2.726279 -4.417150 0.816066
H -3.744746 -5.135152 -0.465187
H -5.856202 -3.991982 0.334572
H -4.960475 -3.288088 1.711367
H -5.891315 -2.225749 0.615103
H -0.566405 -0.124111 1.412139
H 2.774822 -1.822144 -1.394865
H 2.408420 0.961252 1.905631
H 5.187829 -1.219446 -1.659200
H 4.849212 1.579317 1.654692


