%chk=000245080.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245080

0 1
Cl 5.525178 3.590523 0.356439
O -6.292380 1.861328 0.616244
N -3.885757 0.400467 0.053737
N 0.652533 -0.998616 -0.845243
N 4.559531 -1.395480 0.758272
C -3.044369 -0.826458 -0.211608
C -2.353454 -0.666086 -1.586617
C -1.961713 -0.960840 0.883820
C -0.370598 -2.079283 -0.779346
C -1.418258 -1.840334 -1.885467
C -1.040188 -2.151324 0.609692
C -4.970184 0.554395 -0.976331
C -4.529203 0.357759 1.411146
C -5.721034 1.868273 -0.707448
C -5.290646 1.674088 1.636311
C 1.911155 -1.132129 -0.263508
C 2.753658 0.042872 -0.125617
C 2.424279 -2.370434 0.128724
C 4.071357 -0.149334 0.387008
C 2.339421 1.362512 -0.474549
C 3.748431 -2.449682 0.623167
C 4.947839 0.976393 0.538462
C 3.182401 2.436819 -0.326178
C 4.491449 2.217516 0.184684
H -3.668005 -1.757083 -0.222239
H -1.799730 0.293132 -1.610583
H -3.110705 -0.585867 -2.392069
H -2.430033 -1.082132 1.880580
H -1.376327 -0.022115 0.945764
H 0.149394 -3.056022 -0.982384
H -2.009810 -2.768742 -2.013601
H -0.908764 -1.674430 -2.856534
H -0.263721 -2.210007 1.398945
H -1.612578 -3.096627 0.682833
H -5.687458 -0.294718 -0.974943
H -4.507591 0.593045 -1.986301
H -3.737937 0.254855 2.184897
H -5.222229 -0.502758 1.531405
H 0.268693 -0.056708 -0.936495
H -5.058701 2.746253 -0.808362
H -6.611066 1.980326 -1.350621
H -5.893199 1.655073 2.560995
H -4.611060 2.544704 1.636257
H 1.837002 -3.278136 0.049078
H 1.333177 1.517719 -0.868091
H 4.159756 -3.422960 0.924383
H 5.953263 0.806124 0.931070
H 2.872080 3.446629 -0.590679


%chk=000245080-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245080

0 1
Cl 5.717862 3.656306 0.139915
O -6.357088 1.841083 0.754215
N -3.909936 0.375526 0.056736
N 0.628431 -0.984319 -0.754451
N 4.527635 -1.320295 1.006256
C -3.069694 -0.822301 -0.277375
C -2.313060 -0.580124 -1.611937
C -2.047251 -1.146337 0.841471
C -0.356152 -2.079266 -0.864324
C -1.371899 -1.751805 -1.982262
C -1.117972 -2.324269 0.466692
C -5.029256 0.563480 -0.911793
C -4.469718 0.366419 1.438815
C -5.805774 1.854353 -0.608101
C -5.254011 1.661138 1.709103
C 1.877992 -1.091517 -0.172937
C 2.765588 0.064458 -0.115183
C 2.361230 -2.303787 0.374523
C 4.073299 -0.113593 0.483734
C 2.413658 1.357410 -0.615816
C 3.666400 -2.357690 0.933236
C 4.970950 1.001708 0.553827
C 3.297634 2.438694 -0.540778
C 4.575772 2.235291 0.050058
H -3.724611 -1.727690 -0.408521
H -1.758907 0.376141 -1.510619
H -3.021887 -0.435608 -2.446873
H -2.567256 -1.409672 1.779832
H -1.442899 -0.239959 1.046661
H 0.191751 -3.001078 -1.144916
H -1.980179 -2.658883 -2.165280
H -0.837074 -1.529239 -2.925439
H -0.398194 -2.498503 1.287724
H -1.714788 -3.252916 0.357224
H -5.736875 -0.304210 -0.880663
H -4.628837 0.636990 -1.937632
H -3.648511 0.312596 2.173176
H -5.143860 -0.512326 1.604191
H 0.340821 -0.078501 -1.121104
H -5.132451 2.730458 -0.732115
H -6.674549 1.957419 -1.279325
H -5.725647 1.632106 2.705363
H -4.561916 2.529356 1.649324
H 1.752569 -3.210853 0.376280
H 1.434337 1.542215 -1.073642
H 4.028327 -3.306994 1.347760
H 5.950634 0.837356 1.009095
H 3.019264 3.423728 -0.925021


