%chk=000247262.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000247262

0 1
Cl -6.627934 2.631757 1.729842
Cl -7.447695 -0.018871 -2.359158
S 5.217790 -1.851253 0.410281
N -4.984378 0.408287 -0.141441
N 3.773058 0.327487 -0.043735
N 2.502309 -1.742564 0.362739
N 1.266063 -1.154274 0.231926
C -5.177582 1.843992 -0.439340
C -6.209134 -0.400544 0.038427
C -3.707120 -0.151074 -0.015774
C -2.546938 0.648056 -0.188428
C -3.546353 -1.529521 0.283649
C -5.086104 2.709209 0.819527
C -6.599545 -1.137069 -1.245286
C -1.124540 -1.282019 0.234300
C -1.283674 0.085352 -0.065408
C -2.274091 -2.074315 0.405659
C 0.200826 -1.900266 0.372437
C 6.075293 -0.356980 0.116085
C 5.142486 0.696707 -0.105739
C 3.632442 -0.952802 0.213818
C 7.445139 -0.135275 0.084014
C 5.605001 1.995280 -0.364139
C 7.893115 1.163809 -0.174600
C 6.982479 2.211527 -0.395050
H -4.409402 2.182117 -1.178486
H -6.162792 1.990002 -0.946914
H -6.056529 -1.142351 0.860712
H -7.044671 0.257094 0.383759
H -2.630327 1.704666 -0.426564
H -4.411004 -2.169779 0.428237
H -4.281778 2.370089 1.502852
H -4.907192 3.771458 0.568453
H -5.715901 -1.532768 -1.784825
H -7.288818 -1.976303 -1.036810
H -0.395060 0.712234 -0.202317
H -2.172929 -3.135208 0.638568
H 0.196199 -2.978969 0.591104
H 8.152737 -0.944726 0.254346
H 4.892816 2.801875 -0.533998
H 2.619536 -2.741170 0.566895
H 8.961962 1.368182 -0.205984
H 7.362639 3.214020 -0.594336


%chk=000247262-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000247262

0 1
Cl -6.541093 2.449839 2.076050
Cl -7.156085 -0.179487 -2.676173
S 5.274475 -1.969038 0.431323
N -5.090868 0.419601 -0.133707
N 3.861331 0.314175 -0.040781
N 2.510904 -1.658849 0.351256
N 1.289025 -1.019248 0.213075
C -5.305006 1.850551 -0.398198
C -6.278791 -0.436084 0.000623
C -3.796094 -0.112344 -0.011930
C -2.631301 0.713560 -0.165612
C -3.578134 -1.499345 0.269197
C -5.146643 2.757691 0.830430
C -6.598222 -1.282289 -1.240408
C -1.129212 -1.196823 0.231287
C -1.340751 0.183993 -0.050860
C -2.278213 -2.018007 0.389457
C 0.208652 -1.767353 0.356550
C 6.158853 -0.409197 0.119156
C 5.225075 0.659687 -0.103474
C 3.695730 -0.961073 0.217198
C 7.548497 -0.200331 0.083379
C 5.717096 1.960014 -0.366307
C 8.019656 1.108269 -0.181602
C 7.110521 2.175052 -0.403661
H -4.598376 2.204394 -1.176225
H -6.312358 1.981641 -0.826405
H -6.158299 -1.124157 0.862350
H -7.144755 0.200858 0.244480
H -2.731336 1.780874 -0.381600
H -4.421217 -2.183414 0.399463
H -4.219017 2.566289 1.388174
H -5.231385 3.821785 0.559787
H -5.724255 -1.828182 -1.622931
H -7.441689 -1.966128 -1.056506
H -0.465666 0.830214 -0.175505
H -2.152949 -3.086461 0.608067
H 0.269275 -2.854143 0.577330
H 8.253567 -1.019579 0.253973
H 5.004004 2.772003 -0.535583
H 2.560691 -2.667512 0.555382
H 9.098546 1.293711 -0.214320
H 7.496216 3.179940 -0.606905


