%chk=000189433.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000189433

0 1
Br -6.604211 2.015328 -0.056258
S 0.497426 -4.309109 -0.260794
N 0.059143 0.213840 -0.002409
C 2.457362 0.597392 0.103932
C 1.303730 -0.331818 0.006276
C 2.864484 1.371966 -1.001435
C -1.018340 -0.625994 -0.074043
C 1.523951 -1.726018 -0.063035
C -2.356151 0.014937 -0.062042
C 0.414140 -2.560346 -0.151589
C -0.879238 -2.022789 -0.159857
C 3.143592 0.689639 1.323261
C 3.972737 2.223324 -0.862823
C 2.132057 1.291963 -2.299505
C 4.241554 1.543108 1.447953
C 4.654865 2.308175 0.352382
C -3.403879 -0.558700 0.677275
C -2.577377 1.199681 -0.783795
C -4.668559 0.035439 0.682798
C -3.840556 1.797602 -0.785087
C -4.871350 1.204618 -0.053591
C 2.248373 -4.730624 -0.220630
H 2.542059 -2.105166 -0.049499
H -1.758524 -2.660541 -0.240863
H 2.811788 0.098398 2.176561
H 4.298891 2.826456 -1.708108
H 2.082924 0.259837 -2.674676
H 1.091544 1.637466 -2.177151
H 2.586806 1.904710 -3.087176
H 4.770112 1.615529 2.395899
H 5.510562 2.975413 0.447809
H -3.232769 -1.464841 1.259526
H -1.754115 1.659849 -1.335365
H -5.479838 -0.411983 1.258419
H -4.009073 2.716613 -1.348120
H 2.731769 -4.419084 0.712924
H 2.800093 -4.305579 -1.067509
H 2.320218 -5.826692 -0.287754


%chk=000189433-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000189433

0 1
Br -6.579979 2.181080 -0.392367
S 0.519983 -4.473987 0.451460
N 0.089415 0.127688 -0.134617
C 2.514266 0.508560 -0.104529
C 1.339296 -0.417017 -0.048260
C 2.621116 1.558448 -1.071924
C -1.003528 -0.700659 -0.041692
C 1.548236 -1.814738 0.121020
C -2.339625 -0.041240 -0.134617
C 0.426146 -2.664984 0.225844
C -0.869242 -2.097745 0.152555
C 3.553987 0.327409 0.847711
C 3.772484 2.385999 -1.036360
C 1.571771 1.796555 -2.143697
C 4.686942 1.166604 0.870642
C 4.795992 2.205517 -0.079616
C -3.531968 -0.773269 -0.380902
C -2.433993 1.367997 0.021865
C -4.783247 -0.125954 -0.459713
C -3.676068 2.030681 -0.050499
C -4.841383 1.272489 -0.289272
C 2.370457 -4.784331 0.515178
H 2.570248 -2.199862 0.143529
H -1.750916 -2.734983 0.264154
H 3.451476 -0.461071 1.602593
H 3.865341 3.185976 -1.780806
H 1.301011 0.860699 -2.665503
H 0.636229 2.181315 -1.703646
H 1.938327 2.518880 -2.893708
H 5.468033 1.016563 1.623888
H 5.668645 2.868329 -0.078571
H -3.500847 -1.856409 -0.537533
H -1.512457 1.928516 0.203402
H -5.692682 -0.700424 -0.656534
H -3.734825 3.115033 0.079256
H 2.824733 -4.253175 1.365758
H 2.847447 -4.492145 -0.432936
H 2.475380 -5.870346 0.660349


