%chk=000229969.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229969

0 1
Cl -3.518593 -1.078640 2.293978
S 0.493089 -0.556663 -1.382359
N -0.864162 -0.040267 1.353216
N -1.843772 3.619223 -1.405750
C -1.395803 1.330492 1.654618
C 0.576466 -0.115418 1.301729
C -1.078561 2.400430 0.602368
C -1.600925 -0.796673 0.376876
C 1.303005 -0.402010 0.163402
C -2.096615 2.411118 -0.550043
C -1.093494 -1.123449 -0.895312
C 2.724560 -0.543611 0.194682
C 1.260229 0.068465 2.551275
C 3.390641 -0.340444 1.434238
C 2.623540 -0.035279 2.605570
C -2.864405 -1.320840 0.720857
C -1.820499 -1.888466 -1.805182
C 3.503206 -0.870593 -0.959939
C 4.814227 -0.451594 1.494375
C -3.614229 -2.073004 -0.188204
C -3.094875 -2.348059 -1.455305
C -3.052982 3.937999 -2.223966
C -0.664227 3.407650 -2.297276
C 4.870458 -0.973004 -0.871594
C 5.536986 -0.757840 0.367897
H -0.964148 1.629946 2.637427
H -2.493939 1.260209 1.813166
H -0.052492 2.270447 0.203542
H -1.071509 3.400901 1.084937
H -3.124974 2.481209 -0.133366
H -2.048481 1.456942 -1.116434
H 0.671121 0.272642 3.445788
H 3.151732 0.105446 3.549678
H -1.403127 -2.132161 -2.783903
H 3.006124 -1.048724 -1.914723
H 5.311377 -0.289499 2.449953
H -4.595740 -2.453328 0.099589
H -3.676483 -2.934234 -2.165538
H -3.889412 4.177756 -1.548409
H -3.374272 3.140240 -2.908821
H -2.852745 4.843145 -2.819532
H 0.221395 3.186116 -1.679132
H -0.776717 2.594455 -3.029195
H -0.455899 4.341917 -2.841310
H 5.465818 -1.222948 -1.749299
H 6.621605 -0.843500 0.403930


%chk=000229969-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000229969

0 1
Cl -3.485044 -1.262847 2.620696
S 0.134386 -0.911853 -1.684523
N -1.101073 0.005652 0.924214
N -1.517482 3.949618 -1.220669
C -1.829089 1.174747 1.497194
C 0.328092 -0.007278 0.947182
C -1.409333 2.516218 0.853034
C -1.794782 -1.091572 0.346205
C 1.065328 -0.478056 -0.151646
C -1.809942 2.616260 -0.632537
C -1.332006 -1.665671 -0.875518
C 2.497805 -0.562867 -0.124474
C 1.032219 0.439469 2.116255
C 3.191157 -0.084018 1.058317
C 2.423219 0.417693 2.159470
C -2.925097 -1.725239 0.937510
C -1.982805 -2.748217 -1.496375
C 3.277153 -1.067101 -1.218965
C 4.622555 -0.125253 1.094294
C -3.627016 -2.770951 0.307247
C -3.159220 -3.280642 -0.922941
C -2.233817 4.145942 -2.499212
C -0.069125 4.205747 -1.374466
C 4.672269 -1.094463 -1.151448
C 5.354935 -0.617620 0.011852
H -1.697449 1.222259 2.595554
H -2.904413 1.007858 1.320995
H -0.320209 2.660011 0.976619
H -1.907486 3.335513 1.407000
H -2.903790 2.454843 -0.710060
H -1.316736 1.793882 -1.210786
H 0.458476 0.794027 2.977708
H 2.948499 0.774125 3.053070
H -1.579553 -3.159510 -2.427012
H 2.762417 -1.446090 -2.108419
H 5.136508 0.237312 1.992564
H -4.504487 -3.202347 0.797136
H -3.691935 -4.101500 -1.412275
H -3.320543 4.026989 -2.339663
H -1.921210 3.427916 -3.300441
H -2.053451 5.170450 -2.872000
H 0.435764 4.175676 -0.394265
H 0.436941 3.466586 -2.047198
H 0.081653 5.215364 -1.796984
H 5.251022 -1.489187 -1.993750
H 6.449192 -0.645378 0.050008


