%chk=000239308.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000239308

0 1
Cl -3.819976 2.134909 0.750316
Cl -5.083414 -0.655140 0.191698
N 1.703260 0.465366 -1.603916
N 0.788855 -0.104352 0.602206
C 3.167748 0.261524 0.426906
C 3.506691 -1.102371 1.061845
C 1.757571 0.235737 -0.193252
C 3.240373 1.392607 1.454949
C 3.686813 -2.193172 0.011191
C 2.599617 1.514498 -2.161425
C 0.375124 0.460487 -2.269954
C -0.598069 -0.204684 0.387744
C -1.424431 0.924756 0.579188
C -1.178209 -1.471570 0.138794
C -2.806382 0.764983 0.520909
C -2.561829 -1.608076 0.085413
C -3.379228 -0.485954 0.270445
H 3.924453 0.460988 -0.379538
H 2.708401 -1.392120 1.777932
H 4.429706 -1.003169 1.665437
H 2.995444 2.363218 1.011714
H 4.240883 1.468794 1.894479
H 2.532074 1.224778 2.280465
H 3.879755 -3.164389 0.481000
H 4.524038 -1.980342 -0.662234
H 2.788757 -2.304120 -0.610247
H 2.664448 1.392990 -3.256147
H 3.625116 1.392790 -1.762942
H 2.258123 2.538430 -1.942925
H 0.503501 0.574714 -3.359280
H -0.303693 1.255453 -1.921157
H -0.113360 -0.518186 -2.115305
H -0.985227 1.897695 0.793711
H -0.533095 -2.340064 0.011877
H -3.014637 -2.584008 -0.098994


%chk=000239308-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000239308

0 1
Cl -3.510617 2.420093 0.287499
Cl -5.234092 -0.395238 0.423483
N 1.581952 0.824754 -1.462751
N 0.832059 -0.524840 0.401501
C 3.142870 0.237740 0.421991
C 3.560722 -1.152220 0.974805
C 1.750291 0.175293 -0.235609
C 3.128347 1.298290 1.556005
C 3.757632 -2.216914 -0.124107
C 2.548359 1.803666 -2.000367
C 0.467882 0.497952 -2.373195
C -0.563036 -0.460719 0.308311
C -1.271766 0.781762 0.279304
C -1.326417 -1.664060 0.393154
C -2.676853 0.801613 0.319991
C -2.732156 -1.628886 0.418122
C -3.419780 -0.395304 0.380117
H 3.894313 0.526380 -0.337424
H 2.782933 -1.487377 1.684001
H 4.503433 -1.021418 1.543463
H 2.868641 2.307794 1.184304
H 4.119230 1.358784 2.042113
H 2.381294 1.016270 2.319136
H 4.075443 -3.181288 0.312524
H 4.529931 -1.907390 -0.854654
H 2.813735 -2.391954 -0.671615
H 3.270683 1.337169 -2.700811
H 3.105912 2.302635 -1.194111
H 1.993620 2.585424 -2.550656
H 0.840288 0.519495 -3.413784
H -0.377864 1.207292 -2.283294
H 0.086023 -0.512614 -2.162256
H -0.720470 1.726521 0.251799
H -0.794834 -2.618471 0.448098
H -3.308506 -2.557236 0.475818


