%chk=000218544.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218544

0 1
Cl -8.327474 0.664702 0.116606
S 7.424747 0.606435 -1.519220
O -2.762801 -0.865922 -0.311617
N 5.776140 0.245955 0.570297
N -4.360148 0.753653 0.296568
C 4.613603 -0.570579 0.087535
C 3.314975 0.208727 0.356584
C 2.086584 -0.621900 -0.033215
C 6.991077 -0.586025 0.835953
C 6.156924 1.316818 -0.363744
C 0.787429 0.149515 0.235729
C 7.800056 -0.818893 -0.446017
C -0.439880 -0.682111 -0.152731
C -1.723734 0.093142 0.119733
C -4.058302 -0.482249 -0.200823
C -5.023936 -1.431716 -0.626281
C -6.359464 -1.072442 -0.526827
C -5.676687 1.083547 0.384629
C -6.685029 0.196720 -0.016541
H 4.691737 -0.839579 -0.988205
H 4.594025 -1.528081 0.652149
H 3.268806 0.489753 1.428372
H 3.320468 1.166097 -0.199179
H 2.080123 -1.575783 0.529718
H 2.143050 -0.902665 -1.103285
H 7.602846 -0.031516 1.585493
H 6.704909 -1.543769 1.316402
H 6.623717 2.150348 0.200996
H 5.309093 1.716686 -0.949430
H 0.732457 0.430171 1.306366
H 0.793070 1.103450 -0.327895
H 8.885214 -0.862962 -0.254576
H 7.514043 -1.750095 -0.963350
H -0.395911 -0.969392 -1.223239
H -0.456167 -1.640961 0.404700
H -1.888857 0.321343 1.185711
H -1.828853 1.008285 -0.486143
H -4.703785 -2.396293 -1.011590
H -7.149974 -1.758659 -0.837745
H -5.905896 2.079246 0.785813


%chk=000218544-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000218544

0 1
Cl -8.454905 0.897923 0.150255
S 7.379585 0.668903 -1.655984
O -2.837191 -0.995223 -0.356987
N 5.857399 0.280358 0.635664
N -4.374567 0.713525 0.223138
C 4.685852 -0.514497 0.162439
C 3.347055 0.209643 0.407290
C 2.132142 -0.648565 -0.011444
C 7.093038 -0.513017 0.842060
C 6.215774 1.396851 -0.202789
C 0.784441 0.074715 0.208723
C 7.746554 -0.827646 -0.548957
C -0.431597 -0.796237 -0.183420
C -1.750560 -0.054918 0.036459
C -4.139630 -0.543071 -0.235783
C -5.171839 -1.448332 -0.609405
C -6.503060 -1.015051 -0.494933
C -5.670900 1.129230 0.331991
C -6.746356 0.294140 -0.016070
H 4.785068 -0.767702 -0.919492
H 4.685979 -1.465292 0.728090
H 3.278698 0.470686 1.481162
H 3.324954 1.165713 -0.153570
H 2.134718 -1.597875 0.563703
H 2.225914 -0.930661 -1.080693
H 7.798874 0.091626 1.440785
H 6.863587 -1.435846 1.401716
H 6.844366 2.124121 0.330999
H 5.351066 1.880808 -0.675359
H 0.700498 0.372984 1.274291
H 0.774872 1.015166 -0.380468
H 8.837468 -0.952403 -0.462151
H 7.304979 -1.724187 -1.014222
H -0.355471 -1.095176 -1.246675
H -0.436360 -1.728461 0.413862
H -1.897276 0.236543 1.093292
H -1.827767 0.858243 -0.582785
H -4.917450 -2.446989 -0.972073
H -7.333088 -1.672395 -0.768567
H -5.836669 2.145363 0.703610


