%chk=000219871.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000219871

0 1
Cl -5.967916 2.185301 -0.409716
N 2.578724 -0.861832 0.028429
N 1.283997 1.277119 -0.258180
N -2.108591 -1.262221 -0.011615
N 2.234740 -2.193206 0.187321
N -1.133593 0.925060 -0.266464
C 0.304196 -0.991677 0.006263
C 1.417641 -0.079151 -0.086656
C -0.999956 -0.421233 -0.092571
C 0.000583 1.717388 -0.336541
C 3.965889 -0.463518 -0.007851
C 0.893184 -2.291435 0.177842
C -0.227793 3.196677 -0.515796
C -3.495771 -0.923911 -0.079969
C 4.308206 0.895767 0.078308
C 4.961832 -1.451970 -0.127683
C -0.491954 3.861524 0.832512
C -3.980608 0.386922 -0.205916
C -4.398549 -2.012680 -0.006077
C 5.656867 1.258698 0.039149
C 6.301715 -1.065464 -0.161452
C 6.653844 0.286437 -0.079615
C -5.361872 0.574052 -0.255256
C -5.771466 -1.779232 -0.059206
C -6.273927 -0.478964 -0.184869
H 0.382215 -3.235008 0.288530
H 0.657538 3.658366 -1.006563
H -1.089541 3.360995 -1.200501
H -1.902356 -2.259209 0.106095
H 3.541415 1.671149 0.169584
H 4.691767 -2.508338 -0.189835
H -1.378393 3.436031 1.322655
H -0.666603 4.937076 0.711126
H 0.357336 3.738239 1.516657
H -3.303526 1.248772 -0.266268
H -4.033889 -3.032521 0.090927
H 5.927864 2.312665 0.102981
H 7.077562 -1.825413 -0.253372
H 7.701630 0.579268 -0.108430
H -6.464098 -2.620351 -0.002414
H -7.345645 -0.295372 -0.226663


%chk=000219871-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000219871

0 1
Cl -5.994705 2.314652 -0.374633
N 2.600325 -0.857865 -0.040278
N 1.336520 1.274887 -0.243036
N -2.088333 -1.217329 -0.053406
N 2.279170 -2.224926 0.074987
N -1.088086 0.948152 -0.243101
C 0.338875 -0.993339 -0.052396
C 1.441906 -0.084074 -0.119895
C -0.967394 -0.402243 -0.116895
C 0.051399 1.725631 -0.300413
C 3.983773 -0.470165 -0.058001
C 0.926378 -2.294723 0.066656
C -0.169296 3.217088 -0.416879
C -3.472284 -0.902970 -0.084812
C 4.345841 0.897160 -0.151635
C 4.977067 -1.477765 0.021723
C -0.765404 3.818063 0.883563
C -3.969482 0.422847 -0.204551
C -4.383427 -1.992695 0.011608
C 5.713627 1.244655 -0.163655
C 6.337595 -1.109294 0.007913
C 6.715424 0.250897 -0.084262
C -5.361464 0.607995 -0.222307
C -5.771741 -1.760537 -0.010912
C -6.287207 -0.448190 -0.128672
H 0.459560 -3.275831 0.147283
H 0.797117 3.692946 -0.652081
H -0.866526 3.406556 -1.254279
H -1.883699 -2.214592 0.036217
H 3.565723 1.659194 -0.214096
H 4.671668 -2.523704 0.093434
H -1.724698 3.331436 1.131442
H -0.945622 4.900511 0.758671
H -0.074469 3.679593 1.734359
H -3.265839 1.252321 -0.280130
H -4.004978 -3.018504 0.104300
H 5.993843 2.301383 -0.235858
H 7.104456 -1.889265 0.069526
H 7.774342 0.530775 -0.094291
H -6.463907 -2.605523 0.064008
H -7.363351 -0.258409 -0.146315


