%chk=000289778.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000289778

0 1
Cl 7.687006 2.435696 0.044790
N 2.589083 -0.347646 0.018672
N 3.917005 1.602272 0.033512
N 5.073820 2.212502 0.039306
C -4.958190 -0.405931 0.006392
C -3.691289 0.460082 0.014603
C -6.226737 0.457835 0.010340
C -2.422484 -0.403359 0.010622
C -7.494280 -0.407310 0.001824
C -1.157660 0.465346 0.018504
C -8.762773 0.456549 0.005652
C 0.111838 -0.397556 0.014529
C -10.030307 -0.408253 -0.002338
C 1.359967 0.491550 0.022461
C -11.299974 0.454850 0.001793
C -12.564912 -0.400698 -0.005515
C 3.838862 0.220392 0.024397
C 5.048695 -0.596805 0.021051
C 6.289310 0.092391 0.027456
C 5.045484 -2.018879 0.011924
C 7.504468 -0.648431 0.024592
C 6.228631 1.532834 0.036686
C 6.232122 -2.717782 0.009284
C 7.472137 -2.024816 0.015669
H -4.960059 -1.079849 0.884760
H -4.957094 -1.067435 -0.881367
H -3.694516 1.122260 0.902165
H -3.691589 1.134725 -0.863527
H -6.229230 1.119614 0.897966
H -6.226065 1.132353 -0.867648
H -2.421874 -1.064745 -0.877381
H -2.424578 -1.076834 0.889491
H -7.492948 -1.068848 -0.885859
H -7.496185 -1.081463 0.879965
H -1.162226 1.128162 0.906598
H -1.159529 1.140267 -0.860439
H -8.761710 1.130582 -0.872625
H -8.764604 1.118532 0.893046
H 0.108582 -1.068884 0.896218
H 0.111257 -1.056790 -0.876251
H -10.030564 -1.070388 -0.889363
H -10.033248 -1.082791 0.875287
H 1.376040 1.159401 0.917854
H 1.378771 1.171445 -0.863786
H -11.302057 1.116893 0.889780
H -11.299788 1.128660 -0.877299
H 2.486725 -1.354100 0.011936
H -13.465243 0.223806 -0.003246
H -12.613161 -1.042409 -0.892573
H -12.616113 -1.053103 0.873539
H 4.096636 -2.553731 0.007039
H 8.456886 -0.114795 0.029530
H 6.236535 -3.807185 0.002299
H 8.398129 -2.601281 0.013383


%chk=000289778-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000289778

0 1
Cl 7.921086 2.431957 0.079058
N 2.659692 -0.284067 0.011780
N 3.988849 1.620103 0.043689
N 5.241650 2.233929 0.059672
C -4.975737 -0.373456 0.007367
C -3.692691 0.487778 0.008033
C -6.274892 0.463431 0.005888
C -2.394603 -0.350646 0.009084
C -7.557701 -0.398304 0.005486
C -1.113243 0.512620 0.010682
C -8.857783 0.437409 0.003719
C 0.182728 -0.328617 0.010693
C -10.140290 -0.424883 0.003377
C 1.444648 0.553636 0.015081
C -11.440956 0.410795 0.001355
C -12.716468 -0.459506 0.001040
C 3.926389 0.248566 0.025657
C 5.112592 -0.607601 0.021325
C 6.392588 0.055198 0.037930
C 5.075662 -2.032638 0.001575
C 7.590076 -0.719418 0.034708
C 6.342975 1.496720 0.056907
C 6.262478 -2.778581 -0.001330
C 7.524671 -2.117746 0.015382
H -4.970736 -1.039453 0.895745
H -4.969283 -1.040298 -0.880367
H -3.699329 1.154249 0.895745
H -3.698140 1.153878 -0.879963
H -6.282052 1.130495 0.893322
H -6.280749 1.129370 -0.882400
H -2.388801 -1.016185 -0.879554
H -2.390549 -1.016691 0.897342
H -7.550556 -1.065587 -0.881918
H -7.552045 -1.064199 0.893944
H -1.119613 1.176739 0.899224
H -1.118495 1.178522 -0.876533
H -8.864002 1.103258 -0.884749
H -8.865464 1.104751 0.891054
H 0.187025 -0.990907 0.901634
H 0.189556 -0.986402 -0.883684
H -10.134150 -1.092414 -0.883903
H -10.135782 -1.090708 0.891949
H 1.461480 1.215179 0.902568
H 1.461382 1.223702 -0.866198
H -11.446182 1.077484 0.887933
H -11.444541 1.075722 -0.886556
H 2.538114 -1.294995 -0.002036
H -13.631924 0.160509 -0.000549
H -12.749135 -1.113296 -0.891097
H -12.750911 -1.111345 0.894537
H 4.119636 -2.568784 -0.011970
H 8.553026 -0.200554 0.047543
H 6.221032 -3.872795 -0.016531
H 8.446470 -2.709019 0.013008


