%chk=000180442.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180442

0 1
Br 4.687908 1.438152 0.981170
Br 4.247656 -1.596718 0.281181
S 0.704695 -0.628617 0.278528
F 2.502210 0.397460 -1.344846
F 1.800346 1.700804 0.144673
O -0.996237 -1.965178 1.029029
O -2.551946 -2.839446 -0.339856
O -3.966613 1.257826 -0.948245
N -2.295735 0.485503 0.390527
C -1.834364 -0.475304 -0.621200
C -0.414222 -0.184428 -1.101069
C 2.176592 0.415281 -0.040521
C -1.895689 -1.888067 -0.018856
C -3.382874 1.341728 0.115190
C 3.342215 0.027916 0.867231
C -3.722737 2.293293 1.220220
H -2.549564 -0.447597 -1.508364
H -0.307637 0.881013 -1.390373
H -0.154960 -0.781344 -1.998699
H -1.726418 0.572253 1.231516
H 2.989346 -0.155312 1.914071
H -4.603164 2.897194 0.938032
H -3.976727 1.778555 2.157668
H -2.907463 2.998641 1.434459
H -0.903120 -2.883907 1.409535


%chk=000180442-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000180442

0 1
Br 3.276381 2.165327 1.995830
Br 4.024340 0.614575 -0.813931
S 1.009575 -1.210770 -0.278941
F 0.962556 1.539007 -0.298872
F 0.668267 0.589309 1.750098
O -2.434658 -2.180427 1.332523
O -1.958449 -3.295086 -0.650365
O -2.541669 1.741694 -1.322883
N -2.004375 0.239947 0.352039
C -1.850615 -0.840634 -0.615274
C -0.494248 -0.804113 -1.365904
C 1.399035 0.452443 0.505582
C -2.081551 -2.226477 -0.017701
C -2.338120 1.513070 -0.089332
C 2.901814 0.569557 0.840160
C -2.412943 2.589340 0.981429
H -2.615341 -0.685255 -1.407460
H -0.342982 0.187620 -1.817163
H -0.459570 -1.585671 -2.142382
H -1.836858 0.043858 1.339483
H 3.226231 -0.306997 1.418934
H -3.273004 3.245911 0.773963
H -2.499546 2.180542 2.002447
H -1.498765 3.208034 0.931197
H -2.564007 -3.105103 1.677524


