%chk=000217478.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217478

0 1
Cl -5.745940 1.810121 -0.023469
Cl -2.780584 4.634855 0.024061
O 5.387042 -1.669090 -0.613049
O 0.468895 -1.280681 1.440294
N 1.133996 -0.141585 -2.879596
N -3.080117 -0.920523 1.260827
N -0.895757 -1.788425 -0.312750
N 1.496513 2.016867 0.798354
C 1.246171 0.576401 -1.652237
C 0.005664 -2.403872 -2.560730
C -0.090232 -0.963416 -3.091399
C 2.374307 0.367076 -0.801152
C 0.169209 -2.518217 -1.039466
C 0.297037 1.569021 -1.303499
C -1.735819 -0.323007 1.518292
C 2.446408 1.111860 0.420159
C 0.454183 2.242085 -0.037334
C -4.160544 0.113956 1.346977
C -3.331423 -2.076046 2.189222
C -0.624965 -1.177619 0.904799
C 3.417342 -0.570366 -1.093653
C -0.785988 1.984731 -2.159385
C 3.557506 0.897091 1.327641
C -0.542147 3.208780 0.383047
C 4.451398 -0.740127 -0.203451
C -4.270882 0.787992 -0.022112
C -4.477354 -2.934156 1.655566
C 4.534834 -0.001713 1.028285
C -1.701566 2.910886 -1.755378
C -1.570526 3.502567 -0.455047
C 6.486793 -1.969585 0.278011
H 0.852744 -2.933638 -3.042719
H -0.900812 -2.956119 -2.884145
H -0.260564 -0.988510 -4.194312
H -0.975924 -0.459371 -2.645316
H 1.163801 -2.119932 -0.710981
H 0.155096 -3.592274 -0.740995
H 1.981283 -0.686479 -3.097754
H -1.500313 -0.176838 2.598242
H -1.666839 0.693012 1.058883
H -5.128656 -0.380885 1.597664
H -3.992148 0.872661 2.141919
H -2.402862 -2.690724 2.234906
H -3.544557 -1.750787 3.230507
H -1.834430 -1.793004 -0.701627
H 3.399375 -1.144851 -2.017031
H -0.840282 1.559379 -3.164627
H 3.567446 1.479063 2.253476
H -0.415875 3.679742 1.360619
H -4.371339 0.047730 -0.837475
H -3.408619 1.444721 -0.245390
H -5.436443 -2.402231 1.675305
H -4.298463 -3.233838 0.614896
H -4.591119 -3.846757 2.251434
H 5.367302 -0.170872 1.707019
H -2.517241 3.235380 -2.400870
H 6.113967 -2.379380 1.221191
H 7.107642 -1.082361 0.430455
H 7.031177 -2.734199 -0.292505


%chk=000217478-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000217478

0 1
Cl -5.587996 1.706738 -0.859017
Cl -2.361687 5.125641 0.198677
O 5.676126 -1.619447 -0.719178
O 0.346310 -1.078591 1.409885
N 1.018377 -0.401131 -2.403891
N -3.358576 -1.079357 1.265969
N -1.200547 -2.104234 -0.024001
N 1.994832 2.384778 0.723494
C 1.341955 0.558318 -1.444472
C -0.375225 -2.489851 -2.358131
C -0.314956 -0.976319 -2.672268
C 2.608123 0.463438 -0.752358
C -0.222896 -2.818298 -0.850501
C 0.473563 1.655466 -1.118436
C -2.036591 -0.517049 1.644022
C 2.877025 1.415275 0.314444
C 0.830903 2.500651 0.020541
C -4.395936 -0.050423 0.985048
C -3.799260 -2.176872 2.178074
C -0.843230 -1.269570 1.016226
C 3.585794 -0.539032 -1.039044
C -0.693311 2.016063 -1.883054
C 4.127783 1.326170 1.012833
C -0.074710 3.548671 0.425769
C 4.795121 -0.591153 -0.339156
C -4.285574 0.385218 -0.482010
C -4.812087 -3.136451 1.528321
C 5.076273 0.357603 0.700631
C -1.533890 3.060222 -1.499349
C -1.220366 3.792945 -0.310526
C 6.942985 -1.739214 0.006763
H 0.409584 -3.035585 -2.921138
H -1.346955 -2.874972 -2.730107
H -0.605546 -0.809230 -3.729499
H -1.053993 -0.463581 -2.037466
H 0.773902 -2.521419 -0.476963
H -0.318068 -3.913087 -0.707894
H 1.791627 -0.997377 -2.704373
H -1.875126 -0.494242 2.742654
H -1.959436 0.530890 1.297048
H -5.396838 -0.481660 1.156797
H -4.303131 0.835921 1.649037
H -2.893828 -2.747478 2.456740
H -4.220397 -1.762084 3.124448
H -2.216950 -2.162166 -0.186430
H 3.438868 -1.307853 -1.806050
H -0.902473 1.506847 -2.828063
H 4.299826 2.057679 1.807918
H 0.200090 4.138532 1.303605
H -4.492929 -0.448613 -1.168861
H -3.319383 0.858972 -0.714746
H -5.744214 -2.621724 1.233355
H -4.380988 -3.606946 0.626167
H -5.086168 -3.936841 2.239535
H 6.019515 0.320120 1.253348
H -2.403709 3.338455 -2.101006
H 6.775649 -1.931268 1.084293
H 7.568749 -0.834165 -0.117584
H 7.450791 -2.602833 -0.447471


