%chk=000258675.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000258675

0 1
Cl 8.941494 -0.893545 -1.845242
N 1.919031 1.805329 0.030891
N -2.485145 1.531642 -0.208651
N 4.335233 0.216615 0.144249
N -4.922394 -0.041435 -0.259259
C 1.033547 2.961172 0.396717
C -1.041823 1.806862 -0.515490
C -0.394192 2.483303 0.704663
C 3.199385 2.297680 -0.577825
C 2.233491 0.956930 1.226427
C -2.636258 0.302061 0.636350
C -3.274961 1.361782 -1.472717
C 4.046161 1.091487 -1.032055
C 3.071764 -0.259378 0.784639
C -4.122511 0.105930 0.996725
C -4.764798 1.169483 -1.124056
C 5.444763 -0.653944 0.093096
C -6.223416 -0.607888 -0.149509
C 6.511352 -0.407616 -0.807011
C 5.569097 -1.723558 1.018545
C -6.544277 -1.470534 0.925756
C -7.178386 -0.420461 -1.177307
C 7.642001 -1.212551 -0.739515
C 6.721060 -2.502847 1.047534
C -7.774602 -2.123436 0.957521
C -8.402717 -1.083105 -1.125925
C 7.781920 -2.262989 0.164957
C -8.713431 -1.934889 -0.061367
H 1.421056 3.546240 1.259323
H 1.005559 3.660052 -0.469320
H -0.465527 0.897897 -0.795894
H -0.982637 2.491852 -1.388663
H -1.011453 3.350644 1.017468
H -0.394780 1.791346 1.568660
H 3.793583 2.934048 0.114172
H 2.949904 2.916633 -1.466710
H 1.274725 0.598516 1.661389
H 2.770772 1.514510 2.024810
H -2.051873 0.446156 1.570179
H -2.246484 -0.613979 0.140002
H -2.922035 0.508809 -2.092980
H -3.163612 2.285047 -2.081050
H 3.507845 0.527018 -1.827199
H 5.001398 1.459603 -1.471686
H 3.312863 -0.882615 1.675675
H 2.482654 -0.892518 0.082790
H -4.230215 -0.813930 1.614949
H -4.481261 0.964208 1.608175
H -5.156693 2.081745 -0.620460
H -5.344290 1.031217 -2.064970
H 6.457904 0.404617 -1.529675
H 4.765315 -1.929793 1.722688
H -5.826910 -1.641020 1.725501
H -6.956262 0.229551 -2.020902
H 6.801322 -3.317732 1.768694
H -8.006462 -2.788160 1.789521
H -9.126801 -0.932681 -1.926532
H 8.679708 -2.873275 0.186454
H -9.670798 -2.444705 -0.027349


%chk=000258675-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000258675

0 1
Cl 8.593526 -1.327916 -2.482247
N 1.954741 1.905929 0.151604
N -2.491699 1.573309 -0.181380
N 4.318207 0.215208 0.150135
N -4.942374 0.010510 -0.231803
C 1.050082 3.020256 0.543432
C -1.065592 1.922424 -0.420024
C -0.405012 2.580429 0.808401
C 3.256550 2.407226 -0.347918
C 2.195126 0.935475 1.244966
C -2.655039 0.371084 0.670343
C -3.244155 1.373652 -1.444259
C 4.136595 1.260675 -0.876512
C 3.037241 -0.245297 0.736879
C -4.136848 0.113280 0.999731
C -4.736480 1.159050 -1.145653
C 5.416544 -0.669414 0.062799
C -6.198233 -0.647621 -0.193223
C 6.334962 -0.603133 -1.031883
C 5.672213 -1.640452 1.082583
C -6.733630 -1.172890 1.023492
C -6.959495 -0.847549 -1.387204
C 7.449001 -1.457681 -1.056099
C 6.794060 -2.486186 1.012296
C -7.958447 -1.874214 1.035359
C -8.185040 -1.540306 -1.359995
C 7.716802 -2.411099 -0.059631
C -8.700175 -2.065878 -0.150932
H 1.438812 3.556991 1.447750
H 1.056431 3.751636 -0.288974
H -0.464073 1.036846 -0.738994
H -1.034424 2.644471 -1.259765
H -0.995536 3.473192 1.089087
H -0.443418 1.901477 1.681633
H 3.819251 2.948899 0.456069
H 3.071991 3.120171 -1.172850
H 1.228906 0.542118 1.606867
H 2.718144 1.419462 2.110065
H -2.109228 0.515570 1.619818
H -2.235160 -0.537684 0.165472
H -2.856677 0.495619 -2.022287
H -3.130406 2.276700 -2.072384
H 3.677774 0.840232 -1.800951
H 5.120364 1.685538 -1.140084
H 3.230252 -0.931473 1.575222
H 2.447040 -0.798924 -0.028364
H -4.201110 -0.839297 1.553453
H -4.510363 0.928610 1.662505
H -5.142216 2.089511 -0.686359
H -5.270695 0.989188 -2.092696
H 6.177663 0.079304 -1.868938
H 5.012260 -1.719198 1.950822
H -6.211513 -1.018090 1.971944
H -6.581820 -0.487624 -2.349364
H 6.966928 -3.212303 1.814430
H -8.339518 -2.261383 1.987916
H -8.737212 -1.680790 -2.296840
H 8.594168 -3.059769 -0.111942
H -9.652145 -2.606468 -0.136318


