%chk=000223720.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000223720

0 1
Br -6.528425 0.326685 -0.032815
N 4.166196 -0.358579 0.022113
N -0.507622 -0.770988 0.051496
N 3.854869 -1.690973 0.121772
N 2.884892 1.788914 -0.139098
N 0.465142 1.428923 -0.112913
C 1.904852 -0.504199 0.032285
C 3.013620 0.418044 -0.036434
C 0.597275 0.073634 -0.011404
C 2.506269 -1.803281 0.129763
C -1.897242 -0.432995 0.025740
C 5.560438 0.102647 -0.012219
C -2.795314 -1.523788 0.107432
C -2.389911 0.878561 -0.072939
C 1.604920 2.210246 -0.171041
C -4.169484 -1.294510 0.089781
C -3.768640 1.099335 -0.089938
C -4.645988 0.016202 -0.008851
H 2.009224 -2.757120 0.201056
H -0.298241 -1.771423 0.126544
H 6.094991 -0.202553 0.907225
H 6.093588 -0.331287 -0.879243
H 5.589359 1.207448 -0.091910
H -2.428445 -2.545407 0.184328
H -1.710405 1.736600 -0.137192
H 1.424684 3.296585 -0.252415
H -4.861756 -2.136492 0.152843
H -4.148444 2.120872 -0.166766


%chk=000223720-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000223720

0 1
Br -6.619333 0.330663 -0.031754
N 4.173761 -0.356113 0.022797
N -0.508464 -0.741538 0.048829
N 3.891459 -1.722006 0.125662
N 2.925093 1.761061 -0.138788
N 0.491541 1.429103 -0.115967
C 1.921501 -0.521311 0.033483
C 3.017187 0.398770 -0.035165
C 0.612160 0.070562 -0.012237
C 2.530810 -1.816100 0.131691
C -1.892826 -0.424704 0.025074
C 5.554017 0.123914 -0.012780
C -2.801614 -1.516414 0.105232
C -2.402036 0.898280 -0.072259
C 1.636639 2.187601 -0.172659
C -4.193110 -1.301044 0.089025
C -3.796604 1.113552 -0.088423
C -4.679927 0.019122 -0.008332
H 2.082838 -2.806155 0.206188
H -0.303222 -1.740150 0.123885
H 6.083704 -0.168983 0.908695
H 6.082826 -0.298321 -0.883207
H 5.522620 1.221662 -0.092082
H -2.424737 -2.544614 0.180979
H -1.699847 1.731002 -0.133348
H 1.481724 3.267277 -0.255114
H -4.882010 -2.147774 0.151147
H -4.183749 2.133761 -0.163369


