%chk=000242072.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000242072

0 1
Br 5.700037 -0.322044 0.242966
Cl -7.171948 -0.520143 0.186711
S -0.543087 -1.296693 0.095094
N 3.595449 1.711284 0.190217
N 1.641736 0.273476 0.029086
N 1.950884 -2.139053 0.225510
C 3.027793 2.917495 -0.479000
C 4.357014 2.341699 -0.928771
C 3.000799 0.432139 0.079924
C 3.865032 -0.689131 0.178711
C 1.185592 -1.012336 0.122107
C 3.300870 -1.966838 0.253228
C -1.247567 0.382640 0.008386
C -2.720096 0.153608 0.052795
C -3.391608 0.120179 1.287297
C -3.441791 -0.030440 -1.139253
C -4.771488 -0.088807 1.334787
C -4.822023 -0.240259 -1.103636
C -5.466020 -0.264763 0.135615
H 2.992033 3.817810 0.144536
H 2.140839 2.835415 -1.113773
H 4.448104 1.840303 -1.895392
H 5.300661 2.814376 -0.630261
H 3.914413 -2.874812 0.337122
H -0.913285 0.900354 -0.913139
H -0.877233 1.007186 0.847903
H -2.835161 0.253828 2.215875
H -2.925033 -0.013869 -2.099315
H -5.296813 -0.116132 2.289591
H -5.386203 -0.384171 -2.025121


%chk=000242072-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000242072

0 1
Br 5.904322 -0.370766 0.374355
Cl -7.334458 -0.179095 0.257408
S -0.453798 -1.555693 0.047904
N 3.445079 1.740634 0.152824
N 1.708814 0.143578 0.033555
N 2.133512 -2.250966 0.196042
C 2.809073 2.852378 -0.584780
C 4.281404 2.488246 -0.826561
C 3.053771 0.410362 0.108894
C 3.981373 -0.671201 0.223886
C 1.318190 -1.157219 0.098134
C 3.471295 -1.982321 0.254639
C -1.201627 0.210638 -0.043953
C -2.704706 0.111671 0.029899
C -3.370805 0.136295 1.282710
C -3.481823 -0.011743 -1.150897
C -4.777888 0.048020 1.362854
C -4.890003 -0.102061 -1.092088
C -5.515920 -0.069361 0.168954
H 2.564799 3.736075 0.012343
H 2.075378 2.586687 -1.354540
H 4.533143 1.985534 -1.767894
H 5.075579 3.105565 -0.397142
H 4.141714 -2.843947 0.332398
H -0.847435 0.651160 -0.988157
H -0.763369 0.771847 0.794835
H -2.786185 0.222847 2.205596
H -2.984185 -0.040006 -2.127061
H -5.287757 0.070385 2.330171
H -5.485587 -0.195242 -2.004528


