%chk=000087052.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000087052

0 1
Cl 6.018406 -3.428535 1.672822
Cl -6.025733 -3.419284 -1.673464
S 0.001032 2.767900 -0.000236
O 0.184127 3.495234 -1.249133
O -0.180965 3.495661 1.248561
O 5.202468 -1.429091 -1.383991
O -5.205956 -1.422095 1.383763
N 4.649125 -0.872683 0.790651
N -4.652585 -0.865655 -0.790864
C 1.351888 1.699556 0.206654
C -1.351475 1.701633 -0.207029
C 2.033291 1.200026 -0.906784
C -2.033275 1.202747 0.906447
C 1.783040 1.363039 1.494295
C -1.783497 1.366164 -1.494646
C 3.537824 -0.008477 0.545741
C -3.539972 -0.003119 -0.546015
C 3.120424 0.340944 -0.750410
C -3.121692 0.345288 0.750123
C 2.866759 0.508309 1.678080
C -2.868506 0.513065 -1.678386
C 5.403537 -1.541510 -0.194143
C -5.407590 -1.533790 0.193942
C 6.546769 -2.390909 0.341093
C -6.552213 -2.381359 -0.341225
H 1.722853 1.491264 -1.917329
H -1.722129 1.493210 1.916991
H 1.271516 1.783266 2.369590
H -1.271602 1.785922 -2.369955
H 3.642870 -0.049898 -1.630761
H -3.644438 -0.045085 1.630503
H 3.187735 0.252882 2.684965
H -3.190144 0.258430 -2.685259
H 4.868038 -1.042165 1.779283
H -4.872075 -1.034464 -1.779482
H 6.936898 -3.036537 -0.480002
H 7.390910 -1.756131 0.683170
H -6.943022 -3.026700 0.479772
H -7.395545 -1.745253 -0.682830


%chk=000087052-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000087052

0 1
Cl 6.960240 -2.496368 2.258214
Cl -6.967078 -2.484778 -2.258995
S 0.000797 2.681739 0.000101
O 0.196542 3.453174 -1.432123
O -0.193982 3.453184 1.432452
O 5.692780 -1.279952 -1.418844
O -5.697382 -1.271114 1.418259
N 4.887271 -0.881042 0.764667
N -4.889700 -0.875406 -0.765015
C 1.496160 1.540853 0.209327
C -1.495956 1.542709 -0.209308
C 2.212844 1.155123 -0.933134
C -2.213221 1.157809 0.933069
C 1.877025 1.183051 1.512614
C -1.877097 1.185368 -1.512642
C 3.749736 -0.061781 0.528018
C -3.751335 -0.057333 -0.528261
C 3.352044 0.338409 -0.777960
C -3.353345 0.342409 0.777761
C 3.013965 0.368620 1.667314
C -3.014963 0.372257 -1.667475
C 5.758398 -1.419407 -0.160641
C -5.761511 -1.412774 0.160225
C 6.918891 -2.264692 0.375759
C -6.924925 -2.253858 -0.376463
H 1.904219 1.509409 -1.922236
H -1.904288 1.511718 1.922210
H 1.316213 1.557510 2.374952
H -1.315770 1.559189 -2.374923
H 3.935451 0.016992 -1.642307
H -3.937198 0.021625 1.642043
H 3.337202 0.073794 2.672818
H -3.338431 0.077815 -2.673018
H 5.097844 -1.107649 1.744676
H -5.100482 -1.101713 -1.745048
H 6.865168 -3.275134 -0.054398
H 7.873525 -1.788649 0.108067
H -6.874580 -3.264596 0.053386
H -7.877977 -1.774712 -0.108636


