%chk=000217366.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217366

0 1
Cl -7.124022 2.036204 -0.246060
O -1.282050 -0.937286 -0.813814
O 0.552552 0.694359 0.127801
O -1.779200 -1.894583 1.177626
N 4.404937 -1.800670 -0.465128
C 3.467348 0.213472 0.102295
C 2.414118 -0.708830 -0.258882
C 4.708011 -0.488050 -0.034883
C 3.021269 -1.920229 -0.594262
C 3.475727 1.556276 0.526600
C 0.991726 -0.371076 -0.243007
C 5.946709 0.122768 0.238374
C 0.056855 -1.475445 -0.747608
C 4.694725 2.153262 0.794710
C 5.917108 1.443863 0.651400
C -3.337147 -0.343166 0.136722
C -2.097374 -1.136468 0.291677
C -4.490964 -0.757793 0.823282
C -3.351732 0.814054 -0.657966
C -5.670441 -0.021520 0.704904
C -4.528080 1.557626 -0.779348
C -5.667405 1.124254 -0.097024
H 2.560302 -2.844083 -0.907625
H 5.077710 -2.523871 -0.637623
H 2.525541 2.085702 0.635250
H 6.878244 -0.422061 0.129447
H 0.263813 -1.752827 -1.796845
H 0.084362 -2.368756 -0.092434
H 4.731402 3.190645 1.125518
H 6.848827 1.962511 0.876073
H -4.456842 -1.652914 1.450979
H -2.436739 1.127587 -1.173425
H -6.574484 -0.330564 1.229782
H -4.554107 2.459309 -1.391703


%chk=000217366-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000217366

0 1
Cl -7.442841 1.883397 -0.196755
O -1.298968 -0.902121 -0.972393
O 0.554895 0.726257 0.193656
O -1.688551 -1.635929 1.210664
N 4.441415 -1.703524 -0.690028
C 3.528476 0.210347 0.170126
C 2.454191 -0.642121 -0.334249
C 4.763260 -0.480965 -0.066651
C 3.067344 -1.800590 -0.849618
C 3.556148 1.482539 0.795999
C 1.020532 -0.344444 -0.296894
C 6.018728 0.050508 0.295684
C 0.067075 -1.419633 -0.875360
C 4.806128 2.021266 1.161826
C 6.021186 1.316918 0.915909
C -3.367237 -0.283254 0.066139
C -2.066400 -0.992913 0.202626
C -4.301816 -0.393187 1.128128
C -3.683584 0.497979 -1.074888
C -5.546271 0.263450 1.054974
C -4.925740 1.159864 -1.160084
C -5.837206 1.029405 -0.092595
H 2.621137 -2.680671 -1.309854
H 5.116670 -2.410464 -0.976096
H 2.620771 2.015537 0.983388
H 6.953442 -0.489185 0.108663
H 0.349980 -1.691415 -1.905428
H 0.085776 -2.313964 -0.222643
H 4.849465 3.002425 1.647019
H 6.974104 1.767148 1.214850
H -4.036832 -0.992267 2.005097
H -2.952337 0.588545 -1.881753
H -6.272592 0.185574 1.868542
H -5.179648 1.767190 -2.033195


