%chk=000228950.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000228950

0 1
Cl -2.975467 -1.539128 2.386409
Cl -2.984210 0.540591 -2.774155
Cl -4.886648 0.440112 0.187924
Cl -4.127104 -2.091050 -0.833414
Cl -0.353123 -2.570596 0.859426
Cl -0.358709 -1.258435 -2.396760
O -0.198440 0.675844 2.764443
O -0.205626 2.401916 -1.518803
N 0.103675 1.605121 0.649000
C -2.063768 0.755320 1.155470
C -2.066217 1.341429 -0.298908
C -2.466490 -0.735172 0.944111
C -2.470087 0.120410 -1.178927
C -3.527320 -0.575791 -0.223784
C -1.345539 -1.427657 0.159387
C -1.347676 -0.921379 -1.096919
C -0.638470 0.955147 1.682908
C -0.642212 1.852777 -0.544537
C 1.567403 1.854718 0.747131
C 2.359576 0.635131 0.254247
C 3.867718 0.892972 0.356482
C 4.672211 -0.318795 -0.133430
C 6.182073 -0.064729 -0.032677
C 6.988864 -1.275585 -0.522562
C 8.492587 -1.028812 -0.424417
H -2.784338 1.268889 1.832820
H -2.788136 2.180322 -0.428789
H 1.811067 2.082914 1.810616
H 1.808251 2.756868 0.138390
H 2.084263 0.400865 -0.793915
H 2.086209 -0.261082 0.847036
H 4.142837 1.125646 1.404061
H 4.140877 1.787748 -0.236818
H 4.399492 -0.554112 -1.180591
H 4.401419 -1.215188 0.457712
H 6.457752 0.169899 1.013511
H 6.455776 0.830763 -0.623219
H 6.718370 -2.172478 0.068522
H 6.716699 -1.510574 -1.570260
H 8.801330 -0.168777 -1.029517
H 9.060098 -1.897604 -0.776458
H 8.803135 -0.831058 0.607852


%chk=000228950-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000228950

0 1
Cl -3.186540 -1.541612 2.475725
Cl -3.260400 0.653470 -2.799612
Cl -5.031084 0.716232 0.346540
Cl -4.498029 -1.998577 -0.789796
Cl -0.472300 -2.698470 0.781650
Cl -0.513609 -1.334575 -2.488600
O -0.160537 0.561810 2.753436
O -0.223634 2.365390 -1.576881
N 0.102600 1.492276 0.595862
C -2.093319 0.770035 1.175272
C -2.114111 1.371537 -0.270223
C -2.604368 -0.707543 0.958144
C -2.634114 0.170609 -1.152733
C -3.686216 -0.465936 -0.164273
C -1.553239 -1.460543 0.129354
C -1.570503 -0.937404 -1.127652
C -0.635789 0.894011 1.645291
C -0.667556 1.806275 -0.550008
C 1.552444 1.759070 0.685131
C 2.400552 0.561334 0.200885
C 3.912374 0.857593 0.313092
C 4.787709 -0.329846 -0.147091
C 6.302711 -0.048849 -0.030526
C 7.179056 -1.239824 -0.481205
C 8.691515 -0.954409 -0.358996
H -2.768012 1.287046 1.874892
H -2.800740 2.224974 -0.379567
H 1.779189 1.985662 1.742294
H 1.757990 2.650899 0.066531
H 2.141660 0.330899 -0.850724
H 2.150336 -0.330912 0.806908
H 4.162913 1.109386 1.364644
H 4.161634 1.752840 -0.293766
H 4.540962 -0.582024 -1.199332
H 4.533941 -1.226263 0.456167
H 6.549358 0.208494 1.020878
H 6.560310 0.844172 -0.637764
H 6.919615 -2.131977 0.124708
H 6.932910 -1.495779 -1.531987
H 8.983227 -0.087041 -0.980991
H 9.295441 -1.821336 -0.684391
H 8.967753 -0.723694 0.687312


