%chk=000222257.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000222257

0 1
Cl -1.074843 3.579755 0.008163
N 0.785722 -1.054252 -0.001816
N -3.902065 -0.684562 -0.001592
N -3.590039 -2.022698 -0.004482
N -0.192423 1.114505 0.002701
N -2.627704 1.468283 0.003286
C 2.139554 -0.538846 -0.000798
C -1.641055 -0.831191 -0.001764
C -0.331547 -0.257329 -0.000291
C 2.788816 -0.296201 -1.231424
C 2.788875 -0.301496 1.230830
C -2.749502 0.093536 0.000194
C -2.241524 -2.133548 -0.004893
C 4.123239 0.134688 -1.212202
C 4.123304 0.129467 1.213386
C 2.072594 -0.479005 -2.527385
C 2.072730 -0.489865 2.526034
C 4.782516 0.341114 0.001027
C -5.296003 -0.221141 -0.000579
C -1.335280 1.877658 0.004282
H 0.683810 -2.065418 -0.004474
H -1.741534 -3.088263 -0.006973
H 4.643945 0.321496 -2.149406
H 4.644057 0.312233 2.151361
H 1.223564 0.223025 -2.598103
H 2.714424 -0.290487 -3.397853
H 1.666265 -1.492966 -2.637027
H 1.223672 0.211820 2.599792
H 1.666404 -1.504294 2.631319
H 2.714594 -0.305077 3.397269
H 5.819167 0.678677 0.001723
H -5.829937 -0.589277 -0.896680
H -5.829463 -0.591819 0.894759
H -5.322834 0.886981 0.001018


%chk=000222257-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000222257

0 1
Cl -1.075884 3.620819 0.011725
N 0.800366 -1.053691 -0.002875
N -3.904174 -0.676745 -0.001422
N -3.639108 -2.053045 -0.005968
N -0.211591 1.077449 0.003924
N -2.631202 1.428811 0.005293
C 2.154453 -0.530346 -0.001394
C -1.654329 -0.870824 -0.002130
C -0.339910 -0.286864 -0.000471
C 2.799667 -0.293132 -1.245179
C 2.798591 -0.297196 1.243717
C -2.738603 0.063873 0.000952
C -2.279670 -2.161004 -0.005902
C 4.137729 0.170089 -1.223185
C 4.136660 0.166121 1.224408
C 2.064161 -0.497779 -2.556276
C 2.061910 -0.506087 2.553474
C 4.803762 0.395026 0.001270
C -5.277844 -0.177925 0.000344
C -1.344025 1.821034 0.006519
H 0.676330 -2.068526 -0.005932
H -1.841775 -3.158197 -0.008986
H 4.652762 0.361447 -2.171841
H 4.650858 0.354368 2.174137
H 1.202717 0.191570 -2.630643
H 2.730474 -0.306977 -3.414385
H 1.665291 -1.524928 -2.653724
H 1.200338 0.182953 2.629152
H 1.663058 -1.533582 2.647271
H 2.727385 -0.317932 3.412813
H 5.838945 0.754218 0.002295
H -5.811617 -0.527397 -0.898706
H -5.811121 -0.532210 0.897814
H -5.233107 0.922111 0.003313


