%chk=000222939.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000222939

0 1
Cl -5.930254 1.816304 2.418701
N 3.926429 -1.661178 0.397262
N -0.743105 -0.028214 -1.575312
N -2.883980 -2.144111 1.422267
C 1.744945 -0.140194 -1.151535
C 3.066480 -0.685469 -1.725961
C 4.196216 -0.652940 -0.679664
C 0.566544 -0.492264 -2.093187
C 1.805482 1.353211 -0.915737
C 4.294510 -3.045530 -0.053895
C 4.628074 -1.297592 1.673632
C 1.558369 1.859298 0.369843
C 2.085905 2.245394 -1.962330
C -1.387481 -0.710599 -0.534523
C 3.584101 -4.083090 0.816698
C 3.893103 -0.147266 2.363188
C -2.479177 -0.056178 0.162820
C 1.594541 3.236313 0.604565
C 2.121878 3.621708 -1.724028
C 1.875803 4.120955 -0.441110
C -1.083480 -2.031024 -0.206021
C -3.197854 -0.823771 1.127379
C -2.868730 1.297732 -0.064201
C -1.861533 -2.703882 0.767859
C -4.291815 -0.228727 1.840282
C -3.915316 1.862635 0.622727
C -4.617876 1.073836 1.575111
H 1.574203 -0.664561 -0.168406
H 3.377288 -0.103825 -2.613724
H 2.915457 -1.727115 -2.075490
H 5.174389 -0.807488 -1.182778
H 4.237827 0.362312 -0.221518
H 0.707593 -0.025103 -3.094093
H 0.531344 -1.592631 -2.263018
H 3.961244 -3.169088 -1.109232
H 5.391300 -3.224541 -0.045742
H 4.617803 -2.187039 2.343906
H 5.695813 -1.032358 1.517226
H -0.830870 0.992506 -1.569610
H 1.339899 1.175995 1.190855
H 2.281685 1.867125 -2.963503
H 3.971084 -4.092599 1.842291
H 2.509569 -3.864942 0.887100
H 3.699529 -5.090167 0.404390
H 3.902880 0.767981 1.758225
H 2.839510 -0.405726 2.534290
H 4.345496 0.083823 3.332582
H 1.402238 3.620338 1.605624
H 2.343089 4.307499 -2.540431
H 1.904240 5.192867 -0.257205
H -0.264142 -2.559076 -0.683551
H -2.322279 1.892063 -0.799289
H -1.631514 -3.747487 1.022512
H -4.830191 -0.835854 2.571836
H -4.217663 2.895033 0.453721


%chk=000222939-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000222939

0 1
Cl -6.501608 1.513936 2.120236
N 3.985743 -1.763411 0.321588
N -0.680640 0.056463 -1.375659
N -2.711650 -2.017382 1.787416
C 1.849897 -0.013976 -1.113285
C 3.125440 -0.622498 -1.753212
C 4.283242 -0.759731 -0.735863
C 0.591891 -0.369825 -1.969219
C 1.932730 1.498883 -0.898178
C 4.219276 -3.160569 -0.140087
C 4.670807 -1.468580 1.611575
C 1.614890 2.062661 0.364396
C 2.265167 2.381150 -1.961558
C -1.325715 -0.608365 -0.346599
C 3.364406 -4.195325 0.616713
C 3.993771 -0.338333 2.409424
C -2.562024 -0.074610 0.212225
C 1.633260 3.462193 0.564734
C 2.286726 3.780167 -1.766870
C 1.970868 4.327438 -0.500864
C -0.845347 -1.824763 0.193302
C -3.201986 -0.819360 1.278095
C -3.173711 1.137306 -0.238308
C -1.568397 -2.472728 1.230535
C -4.413725 -0.316354 1.856077
C -4.356896 1.617553 0.332378
C -4.958582 0.871717 1.383867
H 1.733689 -0.503096 -0.126885
H 3.470143 -0.008269 -2.608425
H 2.885902 -1.623713 -2.166446
H 5.228986 -1.007135 -1.279534
H 4.444876 0.221088 -0.252883
H 0.675084 0.106900 -2.964415
H 0.563517 -1.463154 -2.138577
H 3.963404 -3.211468 -1.214788
H 5.302024 -3.435302 -0.064142
H 4.649620 -2.389577 2.221971
H 5.751035 -1.224253 1.448026
H -0.992480 0.998445 -1.605913
H 1.345374 1.396851 1.193390
H 2.512394 1.976683 -2.951395
H 3.591486 -4.207223 1.697960
H 2.291063 -3.960452 0.501596
H 3.549044 -5.213056 0.224772
H 3.986672 0.615524 1.852088
H 2.946984 -0.609181 2.634916
H 4.527529 -0.166232 3.362806
H 1.383886 3.874619 1.548933
H 2.549125 4.443284 -2.599367
H 1.987462 5.412391 -0.348508
H 0.083863 -2.278727 -0.159822
H -2.735583 1.723880 -1.054466
H -1.183602 -3.416617 1.637056
H -4.872773 -0.897197 2.659769
H -4.817955 2.544628 -0.018776


