%chk=000241837.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000241837

0 1
Br 5.500068 0.158001 0.129711
Cl -7.336160 -0.793035 0.220772
S -0.673853 -1.188305 0.016680
N 3.282457 2.052076 0.175946
N 1.413103 0.510560 -0.014494
N 1.864550 -1.884347 0.088189
C 2.630864 3.242700 -0.443350
C 3.985330 2.765582 -0.931420
C 2.763345 0.743148 0.027271
C 3.691008 -0.324508 0.072364
C 3.213151 -1.648460 0.107993
C 1.036994 -0.802753 0.035438
C 4.124335 -2.818525 0.167299
C -1.474968 0.449730 0.000313
C -2.931304 0.136114 0.054973
C -3.580862 0.016482 1.295896
C -3.659990 -0.041846 -1.133764
C -4.945982 -0.271899 1.353297
C -5.025623 -0.330552 -1.088346
C -5.647900 -0.439783 0.157340
H 2.550121 4.117524 0.211152
H 1.740284 3.126792 -1.067539
H 4.091106 2.302805 -1.915547
H 4.902751 3.285462 -0.630443
H 4.746243 -2.791748 1.078032
H 3.575752 -3.776211 0.170935
H 4.814615 -2.834292 -0.691807
H -1.183361 1.018041 -0.905745
H -1.127644 1.063815 0.857265
H -3.018293 0.144830 2.221519
H -3.159645 0.041140 -2.099040
H -5.454101 -0.366182 2.313052
H -5.594992 -0.469956 -2.007243


%chk=000241837-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000241837

0 1
Br 5.684446 0.125162 0.246472
Cl -7.537572 -0.439612 0.298876
S -0.595687 -1.430631 -0.029913
N 3.127007 2.056696 0.142612
N 1.468830 0.384874 -0.009461
N 2.027093 -1.983666 0.066046
C 2.402442 3.153324 -0.534744
C 3.882033 2.882154 -0.841252
C 2.801329 0.708179 0.056011
C 3.784213 -0.325638 0.118033
C 3.366727 -1.679812 0.115199
C 1.156159 -0.936992 0.015403
C 4.324946 -2.842078 0.172542
C -1.438134 0.293809 -0.059284
C -2.932935 0.111898 0.028478
C -3.580960 0.042005 1.289095
C -3.719996 0.002309 -1.147029
C -4.980030 -0.125433 1.382293
C -5.120541 -0.166012 -1.075372
C -5.728490 -0.226368 0.193311
H 2.131429 4.002420 0.099973
H 1.656950 2.870561 -1.286914
H 4.124426 2.425438 -1.808295
H 4.657541 3.527895 -0.419580
H 4.927762 -2.814865 1.098935
H 3.750790 -3.779533 0.139695
H 5.037294 -2.816352 -0.672220
H -1.121640 0.781419 -0.993617
H -1.020281 0.852793 0.791273
H -2.987945 0.115908 2.207700
H -3.236100 0.046565 -2.129495
H -5.475937 -0.176172 2.355829
H -5.723767 -0.247843 -1.983899


