%chk=000217456.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217456

0 1
Cl 3.242443 1.876816 -1.216378
S 4.163174 -1.160605 0.777246
F -3.132085 3.370500 -0.553816
F -4.349929 1.832277 0.219611
F -3.049515 2.901970 1.502483
N 1.998422 -1.472912 -1.565607
N -1.009012 -1.958883 1.399370
C 0.034879 -0.591992 -0.374638
C 1.057633 -1.612248 -0.536268
C -0.970399 -0.820434 0.606184
C 3.263927 -2.243468 -1.558277
C -0.023816 0.610311 -1.140030
C 4.448035 -1.463690 -0.990234
C -2.016223 1.304201 0.054607
C -2.003368 0.157686 0.811006
C 0.993432 -2.745688 0.272032
C -1.015083 1.537805 -0.934926
C -0.053468 -2.875763 1.217942
C -3.101035 2.324715 0.288539
C 4.329579 0.639812 0.961095
C 3.095513 1.385366 0.515658
H 3.477808 -2.520591 -2.621302
H 3.126238 -3.209243 -1.013932
H 2.095071 -0.536430 -1.970740
H 0.734274 0.792556 -1.905835
H 4.616837 -0.517078 -1.538294
H 5.383696 -2.049174 -1.095600
H -2.756587 -0.055476 1.577462
H 1.738740 -3.533365 0.195651
H -1.038812 2.451453 -1.529851
H -0.105434 -3.769760 1.854779
H 5.247496 1.004586 0.457634
H 4.505824 0.802147 2.050078
H 2.163207 0.788623 0.607706
H 2.954038 2.324575 1.089442


%chk=000217456-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000217456

0 1
Cl 3.429775 1.976362 -1.357400
S 4.869249 -0.385878 0.900133
F -3.693907 3.017336 -0.762485
F -4.961004 1.442992 0.272989
F -3.597877 2.791123 1.485157
N 2.025042 -1.295458 -0.345404
N -2.036572 -2.596036 0.092507
C -0.366782 -0.737018 -0.104909
C 0.715211 -1.708560 -0.206948
C -1.714148 -1.242830 0.050526
C 3.154799 -2.224164 -0.409793
C -0.162981 0.679047 -0.155699
C 4.477122 -1.474669 -0.618767
C -2.559724 1.059388 0.126702
C -2.796045 -0.314970 0.169300
C 0.361721 -3.078344 -0.164356
C -1.232769 1.566933 -0.041411
C -1.001040 -3.454553 -0.019372
C -3.684204 2.040580 0.274180
C 5.705910 1.106182 0.091419
C 4.792379 2.313300 -0.078777
H 3.020979 -2.924086 -1.261767
H 3.209902 -2.847353 0.509661
H 2.263563 -0.306599 -0.244019
H 0.838569 1.099394 -0.300318
H 4.416514 -0.811501 -1.497353
H 5.303551 -2.191278 -0.745979
H -3.801333 -0.727104 0.289650
H 1.119651 -3.862568 -0.232939
H -1.063260 2.646889 -0.089441
H -1.259178 -4.520428 0.012823
H 6.150210 0.789394 -0.866454
H 6.530981 1.383128 0.773545
H 4.258471 2.573488 0.846600
H 5.332728 3.186461 -0.478800


