%chk=000199317.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000199317

0 1
Cl -3.420815 3.635585 -0.757359
O 2.686984 1.580028 -2.805460
O 0.265221 -1.321577 0.437292
N 4.061420 -0.657845 -0.557306
N 1.479161 0.337606 -1.266378
C 3.720451 -0.436492 -1.991089
C 4.333660 -2.100494 -0.253531
C 5.183666 0.241994 -0.126613
C 2.610816 0.617490 -2.067109
C 3.037808 -2.906403 -0.318925
C 5.178258 0.378920 1.395578
C 0.302184 1.110535 -1.170100
C -0.794302 0.628458 -0.401228
C 0.191255 2.359209 -1.841345
C -0.767905 -0.688442 0.277448
C -1.943159 1.439045 -0.274354
C -2.063186 -1.258382 0.772075
C -0.949694 3.128430 -1.721270
C -2.010609 2.660367 -0.923146
C -3.113058 -1.511159 -0.121634
C -2.194397 -1.583751 2.128321
C -4.299099 -2.081176 0.347764
C -3.387386 -2.144780 2.593764
C -4.437988 -2.393707 1.704849
H 4.572231 -0.085286 -2.617445
H 3.355828 -1.372338 -2.474647
H 5.101870 -2.544226 -0.922290
H 4.743351 -2.153072 0.782071
H 6.176593 -0.110881 -0.479201
H 5.019863 1.245994 -0.581887
H 2.234679 -2.423602 0.266082
H 2.661984 -3.019587 -1.340669
H 3.177701 -3.910067 0.096321
H 4.174616 0.637596 1.762920
H 5.470485 -0.550850 1.896531
H 5.866129 1.166860 1.720220
H 1.569579 -0.467760 -0.590480
H 1.029149 2.716759 -2.457896
H -2.782620 1.104209 0.343701
H -1.031717 4.090699 -2.231984
H -3.002941 -1.267009 -1.178713
H -1.365572 -1.404212 2.814374
H -5.116124 -2.281830 -0.344007
H -3.494819 -2.392845 3.648836
H -5.365754 -2.834310 2.068719


%chk=000199317-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000199317

0 1
Cl -3.564058 3.694527 -1.309427
O 2.746713 1.438201 -3.295794
O 0.666367 -0.628501 0.850485
N 3.797645 -0.792016 -0.563579
N 1.637233 0.581575 -1.380777
C 3.836779 -0.307584 -1.956227
C 4.137669 -2.232124 -0.402121
C 4.507004 0.127009 0.374011
C 2.691859 0.676718 -2.283467
C 3.009718 -3.163908 -0.884372
C 4.079725 -0.051850 1.843042
C 0.415513 1.277369 -1.391639
C -0.645597 0.892823 -0.489015
C 0.196015 2.358303 -2.295487
C -0.494795 -0.243155 0.467700
C -1.851354 1.652566 -0.480916
C -1.698925 -0.971828 0.995657
C -1.009098 3.081920 -2.280638
C -2.016205 2.728467 -1.359475
C -2.868425 -1.192168 0.217523
C -1.611013 -1.546952 2.292733
C -3.933108 -1.960608 0.736492
C -2.682759 -2.296235 2.816285
C -3.848187 -2.504812 2.038987
H 4.787931 0.200904 -2.227850
H 3.725700 -1.158685 -2.654270
H 5.094336 -2.483169 -0.922660
H 4.305970 -2.414615 0.672976
H 5.616083 0.020706 0.279020
H 4.261876 1.159420 0.058933
H 2.083414 -2.954463 -0.321996
H 2.795893 -3.035655 -1.961650
H 3.292025 -4.221481 -0.726942
H 2.980869 0.001006 1.926446
H 4.410450 -1.019316 2.261434
H 4.527203 0.745814 2.464042
H 1.828558 -0.075499 -0.590474
H 0.988888 2.613929 -3.001159
H -2.638211 1.406591 0.236016
H -1.156235 3.918497 -2.970045
H -2.931392 -0.794285 -0.800466
H -0.692133 -1.397284 2.868901
H -4.824188 -2.137626 0.124657
H -2.612338 -2.721578 3.823206
H -4.679620 -3.093246 2.442698


