%chk=000285980.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000285980

0 1
Cl -0.417073 1.450673 -0.922025
O -4.266346 3.507921 -0.639629
O -0.867775 -1.126250 0.095500
O -6.407386 0.108712 1.655274
N 4.510920 0.419195 0.146941
N -5.691394 1.068491 -0.281015
N 6.765167 0.503117 -0.938269
N 6.456905 1.088400 1.419420
N 4.403385 0.824392 2.536033
N 8.619124 0.995847 0.438806
C 5.344669 0.210552 -1.147713
C -4.665469 1.201132 -1.345339
C -6.316470 2.369254 0.086069
C 4.791643 1.178140 -2.203747
C 5.203211 -1.254985 -1.583371
C 3.136058 -0.019507 0.162978
C -3.619661 2.254894 -0.940061
C -5.234771 3.406710 0.426430
C 5.153421 0.786209 1.342168
C -5.701682 0.029373 0.662013
C 2.140067 0.847128 -0.328510
C 2.796732 -1.288730 0.661188
C -4.910032 -1.202789 0.329932
C 7.235842 0.857322 0.245132
C 0.473671 -0.860276 0.163761
C -2.810524 -2.402244 0.293865
C 0.817958 0.421111 -0.328457
C 1.466409 -1.713147 0.664017
C -3.534428 -1.237076 0.580796
C -1.330731 -2.441250 0.553157
C -5.570941 -2.326368 -0.179821
C -3.464051 -3.527275 -0.230256
C -4.842328 -3.487677 -0.457141
H -5.184673 1.522330 -2.279130
H -4.182953 0.226011 -1.567745
H -7.009793 2.222441 0.948746
H -6.928549 2.711481 -0.777956
H 3.784490 0.907325 -2.531571
H 4.774939 2.211940 -1.840611
H 5.445380 1.168727 -3.089226
H 5.535246 -1.946246 -0.800242
H 4.178752 -1.513141 -1.863808
H 5.848904 -1.444041 -2.454389
H -2.952870 2.527779 -1.777849
H -3.023303 1.936259 -0.067107
H -4.710211 3.166084 1.367364
H -5.639209 4.433911 0.470633
H 2.404444 1.837953 -0.706755
H 3.578467 -1.944044 1.053228
H 1.220551 -2.697386 1.053914
H -3.017374 -0.364306 0.986240
H -0.806838 -3.220857 -0.027407
H -1.101904 -2.535175 1.631475
H -6.647795 -2.295982 -0.353151
H 4.881170 1.241843 3.332566
H 3.427185 1.081364 2.472356
H -2.904476 -4.432989 -0.460409
H -5.352851 -4.365354 -0.853625
H 8.913179 1.535413 1.241919
H 9.180670 1.125661 -0.392386


%chk=000285980-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000285980

0 1
Cl -0.236374 1.472532 -1.547614
O -4.592803 3.734470 -0.510988
O -0.863986 -1.115321 -0.245057
O -6.968230 -0.281874 1.305026
N 4.631416 0.316901 0.087892
N -5.624313 1.093669 -0.008094
N 6.980531 -0.057252 -0.618937
N 6.426028 1.346205 1.319442
N 4.228874 1.594734 2.054443
N 8.623333 0.710216 0.868594
C 5.595792 0.052271 -1.097657
C -4.727156 1.341952 -1.161430
C -6.417022 2.287475 0.370183
C 5.478048 1.237762 -2.096678
C 5.213807 -1.277082 -1.775222
C 3.245239 -0.058138 0.024829
C -3.805264 2.538644 -0.853885
C -5.460121 3.461179 0.649791
C 5.125907 1.089375 1.134365
C -5.953452 -0.141705 0.545460
C 2.297905 0.775773 -0.632116
C 2.798995 -1.265831 0.612984
C -5.060420 -1.326094 0.260766
C 7.302224 0.643671 0.461730
C 0.493167 -0.824717 -0.117502
C -2.859009 -2.419315 0.194523
C 0.951791 0.388295 -0.698205
C 1.443495 -1.647611 0.542781
C -3.651106 -1.260805 0.378035
C -1.358588 -2.362387 0.383248
C -5.680946 -2.572795 -0.009315
C -3.485591 -3.648382 -0.119028
C -4.894700 -3.725056 -0.210950
H -5.351048 1.588217 -2.045971
H -4.134130 0.446015 -1.396659
H -7.024049 2.031925 1.254315
H -7.102102 2.555448 -0.459651
H 4.469094 1.293626 -2.545496
H 5.706882 2.191419 -1.588107
H 6.213128 1.095538 -2.907597
H 5.285609 -2.109422 -1.054869
H 4.199077 -1.249959 -2.208826
H 5.943247 -1.462240 -2.580507
H -3.213917 2.818930 -1.740218
H -3.116665 2.282818 -0.019983
H -4.835735 3.232952 1.540609
H -6.020863 4.394356 0.821906
H 2.618915 1.718464 -1.084430
H 3.527060 -1.905771 1.120577
H 1.131870 -2.591202 0.998764
H -3.158156 -0.313958 0.622388
H -0.866788 -3.237442 -0.085513
H -1.092987 -2.340623 1.461532
H -6.773845 -2.621587 -0.045531
H 4.621856 2.098212 2.845596
H 3.223372 1.522702 1.927458
H -2.878407 -4.547041 -0.283070
H -5.375446 -4.682099 -0.439207
H 8.844038 1.178472 1.741923
H 9.337215 0.249487 0.312353


