%chk=000198817.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198817

0 1
Cl -1.789560 -4.799764 1.721623
O 1.927603 -0.737622 -0.067016
N -1.250588 0.251487 -1.186425
N 0.104948 0.501043 -1.062550
N 6.630280 0.219919 0.053953
C -1.619163 -0.908845 -0.498645
C -0.406704 -1.487467 0.019139
C 4.208248 -0.234868 -0.094622
C -2.136993 1.298820 -1.729839
C 0.626670 -0.550755 -0.369772
C 5.294912 0.844191 -0.227944
C 2.860491 0.293621 -0.566958
C -2.873024 -1.539715 -0.311745
C -2.903490 2.018755 -0.644562
C -0.441274 -2.707084 0.713763
C -2.887316 -2.734221 0.377090
C -1.679688 -3.299003 0.874366
C 6.833796 0.020167 1.519600
C 7.727422 1.064382 -0.507276
C -2.212618 2.716451 0.356745
C -4.304737 2.003342 -0.648188
C -2.923333 3.395341 1.349319
C -5.010762 2.688371 0.345568
C -4.322467 3.383590 1.344488
H 4.125733 -0.586441 0.955082
H 4.497747 -1.138237 -0.672910
H -2.822441 0.817555 -2.467689
H -1.516212 2.033149 -2.305944
H 5.065950 1.706873 0.433128
H 5.300714 1.233152 -1.270413
H 2.574636 1.256944 -0.112704
H 2.762930 0.344707 -1.664162
H -3.781840 -1.082320 -0.691617
H 0.476470 -3.150731 1.100176
H -3.826397 -3.262474 0.553485
H 6.036812 -0.633844 1.909476
H 6.846628 0.942825 2.117368
H 7.787664 -0.508803 1.677097
H 7.783113 2.085343 -0.103555
H 8.692550 0.566350 -0.318551
H 7.609641 1.125025 -1.601214
H -1.121310 2.720124 0.361345
H -4.848717 1.463375 -1.420487
H -2.386061 3.933680 2.128933
H -6.099625 2.677613 0.341578
H -4.874232 3.913799 2.118767


%chk=000198817-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000198817

0 1
Cl -1.914328 -5.041605 1.710827
O 1.976012 -0.873159 0.117180
N -1.204870 0.280925 -0.903021
N 0.193604 0.462538 -0.804666
N 6.768854 0.298771 -0.147480
C -1.604540 -0.921624 -0.334753
C -0.415444 -1.565947 0.151518
C 4.324686 -0.290090 0.057174
C -2.015663 1.310914 -1.554735
C 0.648558 -0.649723 -0.173519
C 5.377657 0.799173 -0.243147
C 2.922699 0.188443 -0.319301
C -2.881231 -1.522241 -0.195383
C -2.952736 2.060425 -0.607211
C -0.482258 -2.832801 0.783222
C -2.941291 -2.779137 0.431748
C -1.752680 -3.407418 0.904626
C 7.142361 -0.135515 1.214209
C 7.736849 1.272386 -0.693900
C -2.496479 2.504129 0.659320
C -4.279968 2.353210 -1.003159
C -3.355474 3.228661 1.513625
C -5.140063 3.084748 -0.151435
C -4.679628 3.523734 1.110400
H 4.326111 -0.558637 1.129386
H 4.577618 -1.199808 -0.516666
H -2.600028 0.857849 -2.379165
H -1.288594 2.007149 -2.008975
H 5.205575 1.677851 0.436559
H 5.231393 1.164214 -1.279488
H 2.650599 1.134881 0.188889
H 2.808867 0.338100 -1.410471
H -3.793525 -1.030193 -0.543935
H 0.415915 -3.332056 1.154309
H -3.903210 -3.282663 0.565506
H 6.493033 -0.962230 1.547315
H 7.076106 0.687688 1.972378
H 8.181698 -0.509122 1.205860
H 7.777902 2.233031 -0.118064
H 8.749476 0.830858 -0.689513
H 7.473970 1.512466 -1.739789
H -1.471556 2.274269 0.973477
H -4.644358 2.010097 -1.980242
H -2.994466 3.564191 2.492336
H -6.165397 3.305071 -0.469106
H -5.345349 4.085996 1.774562


