%chk=000179063.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000179063

0 1
Cl 0.529917 1.561038 0.812564
Cl -4.191507 2.547834 -0.947681
O 3.922732 -0.985873 1.147212
N -0.384692 -0.820118 -0.148195
N 3.845863 0.614197 -0.462332
N 0.059193 -2.049831 -0.558760
C 1.858792 -0.746354 0.004146
C -1.793729 -0.514431 -0.097375
C 0.699637 0.001495 0.209224
C 3.266470 -0.397041 0.298924
C 1.412865 -2.026256 -0.471651
C -2.243810 0.744927 -0.526105
C -2.688980 -1.489827 0.375041
C 5.228071 1.050356 -0.162229
C 3.125255 1.381747 -1.496889
C -3.612549 1.005971 -0.440191
C -4.052306 -1.190883 0.435647
C -4.526750 0.062416 0.035331
H 2.034175 -2.874146 -0.726141
H -1.562098 1.494794 -0.928475
H -2.320151 -2.472491 0.681589
H 5.252271 2.107844 0.144902
H 5.646663 0.442543 0.667053
H 5.877818 0.912558 -1.041454
H 3.825058 1.742890 -2.269340
H 2.372977 0.753661 -2.005051
H 2.611989 2.256464 -1.059989
H -4.753470 -1.943686 0.801446
H -5.590104 0.298404 0.089180


%chk=000179063-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000179063

0 1
Cl 0.595978 1.743445 0.625531
Cl -4.380915 2.590183 -0.930219
O 3.965518 -1.208695 0.924394
N -0.411665 -0.764461 -0.142692
N 3.871087 0.685539 -0.437813
N -0.006185 -2.084556 -0.423147
C 1.857334 -0.731824 -0.101581
C -1.816991 -0.485675 -0.073030
C 0.701278 0.048705 0.058414
C 3.299522 -0.431450 0.163470
C 1.350536 -2.041308 -0.381690
C -2.330188 0.766648 -0.487072
C -2.683802 -1.510514 0.378486
C 5.255839 1.043616 -0.085321
C 3.262342 1.473391 -1.519770
C -3.718370 0.975331 -0.403527
C -4.070573 -1.266920 0.434584
C -4.608074 -0.015560 0.051228
H 1.929509 -2.946668 -0.550363
H -1.678700 1.550810 -0.876747
H -2.261471 -2.475809 0.666231
H 5.308029 2.106528 0.216653
H 5.581897 0.401723 0.746445
H 5.934602 0.886202 -0.946174
H 3.954968 1.511866 -2.383179
H 2.321378 1.012860 -1.853867
H 3.053827 2.510445 -1.195064
H -4.744343 -2.055035 0.785293
H -5.682767 0.179384 0.100928


