%chk=000248053.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000248053

0 1
Br -8.056262 -2.137207 -0.598230
Cl 4.789697 -4.078551 -0.502251
Cl 7.057511 1.728862 -1.505010
N 4.388478 -0.257351 0.837836
N -1.940252 0.982695 0.154106
N -3.193932 1.504837 0.044199
C 4.627654 -1.721545 0.786056
C 5.535065 0.571841 0.389035
C 3.067514 0.229451 0.627320
C 2.838933 1.605330 0.389332
C 1.953474 -0.631858 0.756241
C 4.475567 -2.324510 -0.614876
C 5.656646 0.685260 -1.134715
C 0.432852 1.235930 0.405346
C 1.540672 2.094177 0.285138
C 0.660050 -0.130524 0.648438
C -0.921278 1.796093 0.280409
C -4.293617 0.618319 -0.104567
C -5.578631 1.196426 -0.211495
C -4.136712 -0.783769 -0.146156
C -6.693538 0.371140 -0.358015
C -5.257349 -1.596563 -0.292699
C -6.525743 -1.014682 -0.397414
H 5.648815 -1.928201 1.185002
H 3.924188 -2.220078 1.497987
H 5.435723 1.588225 0.844127
H 6.471902 0.144979 0.818702
H 3.671761 2.300921 0.305815
H 2.089912 -1.692092 0.961744
H 5.198806 -1.891863 -1.336638
H 3.456310 -2.183408 -1.024426
H 4.758048 1.140003 -1.595075
H 5.826543 -0.300962 -1.614264
H 1.388031 3.158814 0.104392
H -0.191645 -0.808245 0.752823
H -0.978242 2.893806 0.300059
H -3.371654 2.512088 0.056484
H -5.711674 2.274621 -0.180683
H -3.141835 -1.224637 -0.064366
H -7.687707 0.814855 -0.440611
H -5.139681 -2.681825 -0.325202


%chk=000248053-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000248053

0 1
Br -8.463263 -1.950603 -0.121689
Cl 4.969142 -4.344907 -0.326565
Cl 7.375812 2.306451 -0.764446
N 4.428913 -0.315850 0.548902
N -2.023770 0.839900 0.031159
N -3.265905 1.415483 -0.085825
C 4.706870 -1.753891 0.711942
C 5.567425 0.618964 0.557161
C 3.103988 0.156604 0.400498
C 2.821102 1.549617 0.255012
C 1.989182 -0.743864 0.400751
C 4.721092 -2.496714 -0.639216
C 5.999734 1.013442 -0.869300
C 0.391555 1.117008 0.153786
C 1.497873 2.009518 0.140794
C 0.674392 -0.273027 0.285477
C -0.968640 1.636248 0.030224
C -4.431766 0.630541 -0.092155
C -5.694541 1.272369 -0.214214
C -4.373429 -0.785178 0.020999
C -6.882871 0.514058 -0.223409
C -5.561917 -1.542242 0.011725
C -6.806997 -0.889569 -0.110007
H 5.688832 -1.876359 1.201087
H 3.960610 -2.220228 1.380389
H 5.317173 1.529333 1.131962
H 6.419000 0.143169 1.073575
H 3.628213 2.287442 0.235932
H 2.143741 -1.822508 0.497628
H 5.558666 -2.189466 -1.282864
H 3.766583 -2.407695 -1.177633
H 5.186828 1.484678 -1.440242
H 6.427115 0.169165 -1.430051
H 1.320629 3.087645 0.036770
H -0.161950 -0.979315 0.293894
H -1.073160 2.737259 -0.062904
H -3.361816 2.437833 -0.169337
H -5.754422 2.364366 -0.301901
H -3.399829 -1.271012 0.114942
H -7.851086 1.013937 -0.317801
H -5.514705 -2.631801 0.098847


