%chk=000189564.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000189564

0 1
Cl -4.944313 -1.869166 -1.018313
N -0.323651 -3.320394 0.154979
N -1.412222 1.286626 0.619499
N -0.793035 -0.989997 0.366495
N -2.484685 -2.585574 -0.435839
N -3.075687 -0.241296 -0.155722
C 4.168423 -1.526663 -1.249508
C 3.363405 -2.258322 -0.166139
C 3.647373 -0.114765 -1.553696
C 1.941358 -2.596095 -0.629095
C 3.885622 0.867906 -0.399621
C 1.094542 -3.120923 0.540779
C 3.413642 2.283242 -0.761774
C 3.608611 3.261074 0.394086
C -1.195965 -2.265546 0.022554
C -1.759998 0.005144 0.268777
C -0.014194 1.628569 0.996990
C -2.378278 2.413458 0.491729
C -3.343300 -1.534250 -0.480332
C 0.129505 1.781989 2.487438
C -2.234600 3.097283 -0.845113
C 1.199455 2.345819 3.042107
C -2.901019 2.697469 -1.925349
H 5.229941 -1.472290 -0.937092
H 4.163017 -2.123233 -2.183082
H 3.896053 -3.184232 0.124324
H 3.323382 -1.630543 0.747300
H 4.138253 0.261565 -2.472371
H 2.564091 -0.160759 -1.787356
H 1.463145 -1.683165 -1.048894
H 1.967066 -3.330100 -1.454694
H 4.959770 0.886839 -0.133981
H 3.358806 0.514585 0.508411
H 1.138405 -2.399909 1.394375
H 1.483329 -4.094450 0.911522
H 3.965576 2.645199 -1.651961
H 2.347328 2.260828 -1.059882
H 3.306048 4.275402 0.111960
H 4.657270 3.308856 0.709351
H 3.014757 2.972000 1.277875
H -0.600381 -4.224693 -0.225797
H 0.691086 0.829533 0.640695
H 0.283337 2.560992 0.462456
H -3.421358 2.027301 0.628221
H -2.193910 3.125824 1.327798
H -0.691083 1.377482 3.084083
H -1.545228 3.939740 -0.863909
H 1.330143 2.448858 4.109147
H 2.036694 2.743098 2.470834
H -2.814213 3.175363 -2.890745
H -3.582213 1.850819 -1.921822


%chk=000189564-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000189564

0 1
Cl -5.013389 -1.886996 -1.015130
N -0.285779 -3.296807 -0.058150
N -1.435977 1.210441 0.747486
N -0.788868 -1.031023 0.365871
N -2.465534 -2.588477 -0.501924
N -3.069018 -0.280040 -0.077686
C 4.444555 -1.737436 -1.243921
C 3.486388 -2.388617 -0.214041
C 4.065031 -0.298959 -1.679672
C 2.032940 -2.538982 -0.716670
C 4.007797 0.724563 -0.521836
C 1.118665 -3.166459 0.361721
C 3.726176 2.166402 -1.002929
C 3.691596 3.191519 0.151645
C -1.182836 -2.267316 -0.059273
C -1.761535 -0.059003 0.338208
C -0.059948 1.545532 1.186775
C -2.435730 2.310109 0.677821
C -3.307291 -1.544370 -0.463816
C -0.000991 1.877035 2.666157
C -2.355468 3.077465 -0.632155
C 0.461563 3.047026 3.172869
C -3.360442 3.123217 -1.540190
H 5.467117 -1.720599 -0.813445
H 4.495245 -2.383506 -2.144588
H 3.883978 -3.389166 0.056381
H 3.488401 -1.794393 0.722485
H 4.809531 0.049311 -2.425028
H 3.089339 -0.308573 -2.206707
H 1.613887 -1.551506 -0.983324
H 2.012260 -3.161820 -1.633427
H 4.968822 0.704067 0.034417
H 3.222005 0.431443 0.204543
H 1.151301 -2.538392 1.271079
H 1.482692 -4.174984 0.633919
H 4.501037 2.463210 -1.738967
H 2.759607 2.184174 -1.547891
H 3.466828 4.210221 -0.215448
H 4.664914 3.229332 0.676388
H 2.923289 2.920208 0.901066
H -0.644282 -4.184959 -0.412124
H 0.565902 0.663352 0.965955
H 0.316563 2.398780 0.590050
H -3.437778 1.871229 0.796172
H -2.235219 2.980329 1.535756
H -0.359103 1.085809 3.340902
H -1.417731 3.619160 -0.829511
H 0.506399 3.229164 4.252149
H 0.819371 3.854450 2.520497
H -3.268522 3.693634 -2.471744
H -4.297658 2.577698 -1.379022


