%chk=000241187.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000241187

0 1
Br -6.293301 0.204211 0.227180
Cl 6.614095 0.280267 -0.329397
Cl -4.020753 -1.663126 1.863890
S -0.027856 0.810170 -0.570465
N -2.169089 -0.345512 0.577624
N -2.556105 1.424561 -1.040554
C 2.188740 -0.246636 0.321393
C 0.724603 -0.424170 0.539774
C 2.913057 0.666938 1.106621
C 2.849251 -0.992132 -0.670437
C 4.285248 0.834425 0.908981
C 4.221164 -0.832674 -0.876561
C 4.918737 0.079704 -0.081287
C -1.742444 0.599321 -0.310343
C -4.427644 0.331258 0.039101
C -3.514552 -0.472585 0.746119
C -3.888727 1.282490 -0.858891
H 0.366240 -1.445867 0.295555
H 0.414975 -0.250894 1.591473
H 2.404860 1.251858 1.874216
H 2.291388 -1.698630 -1.286239
H 4.851738 1.541649 1.515184
H 4.738335 -1.408430 -1.644413
H -4.540059 1.947805 -1.448024


%chk=000241187-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000241187

0 1
Br -6.398535 0.037385 0.381677
Cl 6.829295 0.089414 -0.160763
Cl -3.921300 -1.762452 1.945830
S -0.099016 1.001149 -0.741965
N -2.188575 -0.274781 0.512649
N -2.728478 1.477552 -1.078094
C 2.216553 -0.200548 0.277009
C 0.718814 -0.296242 0.420483
C 2.966911 0.681257 1.097383
C 2.903029 -0.988194 -0.683021
C 4.370107 0.776522 0.972208
C 4.305722 -0.907161 -0.823571
C 5.017189 -0.022456 0.009747
C -1.842702 0.692778 -0.390046
C -4.500580 0.277198 0.091850
C -3.494209 -0.474134 0.745475
C -4.045431 1.259207 -0.828017
H 0.317615 -1.275347 0.119396
H 0.365826 -0.063942 1.436238
H 2.453504 1.300742 1.841576
H 2.339802 -1.672096 -1.328197
H 4.945808 1.454415 1.608479
H 4.831999 -1.517934 -1.562328
H -4.761447 1.881669 -1.373497


