%chk=000256090.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000256090

0 1
Cl 7.435248 3.080140 -0.821379
Cl 7.117227 -3.827240 0.727189
S -3.036575 2.741622 0.734765
N 5.349327 -0.277266 -0.013788
N -0.962868 1.084338 0.292522
N -3.290632 0.242664 0.063780
C 6.190450 0.923229 0.190762
C 6.066875 -1.550870 -0.243696
C 3.950657 -0.211550 0.012572
C 3.170065 -1.382968 -0.178912
C 3.289973 1.024752 0.230099
C 6.402643 1.656830 -1.139097
C 6.257755 -2.300834 1.080327
C 1.126035 -0.080927 0.063936
C 1.785126 -1.307485 -0.153183
C 1.903025 1.079488 0.255162
C -0.337856 -0.047554 0.084393
C -5.747983 -0.097913 -0.033660
C -4.591289 0.779259 0.205357
C -2.357985 1.153747 0.314727
C -6.931070 0.085659 0.702497
C -5.679107 -1.117386 -0.998387
C -4.633350 2.107053 0.559202
C -8.034778 -0.737177 0.465713
C -6.787654 -1.934973 -1.229875
C -7.966328 -1.745673 -0.500986
H 5.715740 1.606336 0.937364
H 7.170977 0.629034 0.632247
H 5.504452 -2.186591 -0.970747
H 7.054259 -1.349627 -0.720785
H 3.646053 -2.345079 -0.352184
H 3.857404 1.939599 0.384638
H 5.448992 2.011176 -1.577313
H 6.908400 1.025668 -1.892839
H 5.292255 -2.550083 1.562380
H 6.860965 -1.725972 1.807052
H 1.199640 -2.217529 -0.303588
H 1.398758 2.037641 0.425262
H -0.841216 -1.019167 -0.082032
H -6.986053 0.861974 1.463861
H -4.755207 -1.268774 -1.559214
H -5.505806 2.718888 0.707562
H -8.949814 -0.593250 1.037624
H -6.731939 -2.722681 -1.979363
H -8.828493 -2.384128 -0.683964


%chk=000256090-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000256090

0 1
Cl 7.562635 3.190915 -0.375214
Cl 6.982423 -4.111364 0.185710
S -3.123579 2.995797 0.701891
N 5.349122 -0.303922 -0.047713
N -0.992680 1.277142 0.322649
N -3.278987 0.387923 0.131300
C 6.219688 0.831774 0.312898
C 6.018477 -1.557775 -0.442364
C 3.946684 -0.193872 -0.025226
C 3.107303 -1.314733 -0.325076
C 3.305927 1.049439 0.299306
C 6.443548 1.761742 -0.895038
C 6.143515 -2.518409 0.755800
C 1.076334 0.042521 0.020190
C 1.710541 -1.190336 -0.303600
C 1.912065 1.158166 0.322562
C -0.374633 0.140680 0.035391
C -5.720207 -0.096644 0.032334
C -4.599110 0.849457 0.234714
C -2.371036 1.340726 0.337515
C -7.077597 0.318420 0.115541
C -5.442029 -1.461310 -0.253200
C -4.713346 2.211739 0.531813
C -8.124870 -0.604829 -0.080515
C -6.490990 -2.383678 -0.448906
C -7.838231 -1.961531 -0.363797
H 5.794317 1.402036 1.156685
H 7.194907 0.442846 0.654463
H 5.476029 -2.050699 -1.267773
H 7.027460 -1.323245 -0.824562
H 3.539607 -2.288403 -0.572031
H 3.900548 1.937984 0.529987
H 5.510987 2.220846 -1.252870
H 6.964448 1.254782 -1.720912
H 5.166088 -2.817483 1.160148
H 6.781139 -2.110270 1.554027
H 1.092974 -2.066498 -0.537614
H 1.429737 2.109342 0.569525
H -0.947795 -0.775023 -0.204418
H -7.323147 1.363965 0.333246
H -4.395482 -1.774174 -0.315859
H -5.619175 2.799212 0.661289
H -9.165301 -0.267487 -0.012925
H -6.258332 -3.431995 -0.667670
H -8.653677 -2.677370 -0.515702


