%chk=000250047.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000250047

0 1
Cl -4.764372 1.783984 0.472152
O -6.268627 -0.759479 -0.072157
N -1.832906 1.108066 0.132026
N -0.493492 0.835090 -0.019107
N -4.449507 -2.059756 -0.509661
N -3.133026 -2.274024 -0.645817
C 3.717595 -0.206500 0.146894
C -2.736267 0.069744 -0.080449
C 0.408906 1.771269 0.140428
C 2.310614 0.184350 0.331943
C 1.816628 1.370310 -0.053072
C 4.396079 0.069154 -1.051527
C 4.386717 -0.879260 1.184521
C -4.098363 0.274757 0.053404
C 0.159516 3.209165 0.479178
C -2.294075 -1.277094 -0.447305
C 5.729625 -0.319172 -1.206121
C 5.721319 -1.257846 1.025873
C 6.394803 -0.979426 -0.168660
C -5.060980 -0.789839 -0.154224
H 1.678352 -0.565547 0.821831
H 2.439626 2.130360 -0.531340
H 3.879283 0.574860 -1.865687
H 3.866224 -1.100807 2.114939
H -2.177552 2.045058 0.369445
H -0.445494 3.320527 1.390958
H -0.354012 3.736693 -0.338549
H 1.093000 3.761069 0.668690
H -1.219138 -1.480741 -0.569001
H 6.250854 -0.107233 -2.138659
H 6.238420 -1.773858 1.833758
H 7.434182 -1.279109 -0.290556
H -5.050730 -2.879468 -0.678249


%chk=000250047-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000250047

0 1
Cl -4.707531 2.000771 -0.175229
O -6.401692 -0.614091 0.164122
N -1.810993 1.024741 -0.058737
N -0.460701 0.718231 -0.027496
N -4.548332 -2.035118 0.342004
N -3.220549 -2.366574 0.382130
C 3.803458 -0.176831 0.012962
C -2.758693 0.022612 0.073384
C 0.399794 1.728185 -0.154999
C 2.378037 0.168434 -0.014667
C 1.833011 1.425284 -0.132015
C 4.851170 0.790970 -0.056224
C 4.169236 -1.552089 0.114156
C -4.131442 0.296844 0.042156
C -0.039666 3.175918 -0.325179
C -2.352499 -1.361087 0.250980
C 6.201611 0.395495 -0.027702
C 5.521998 -1.948227 0.142439
C 6.546318 -0.975839 0.071192
C -5.143125 -0.738147 0.177284
H 1.674786 -0.671884 0.064369
H 2.490541 2.298756 -0.221894
H 4.608872 1.856883 -0.130760
H 3.377853 -2.309807 0.169339
H -2.154050 1.987705 -0.180930
H -0.652339 3.522987 0.531301
H -0.640112 3.316649 -1.246699
H 0.831636 3.844078 -0.397295
H -1.293114 -1.613585 0.281784
H 6.991694 1.152896 -0.081453
H 5.778224 -3.010509 0.220104
H 7.598726 -1.279224 0.093172
H -5.198923 -2.819131 0.444302


