%chk=000198355.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198355

0 1
Cl 4.027484 1.419577 -3.304387
Cl 3.554328 -0.387192 3.232790
O 0.093117 1.577029 -0.900262
N 2.608518 0.047157 0.280194
N -0.658663 -1.651990 0.246715
N -1.004828 -0.456472 -0.478327
C 1.254363 -0.363691 0.072691
C 0.773775 -1.603001 0.424555
C 0.144498 0.445314 -0.476951
C 3.374464 0.217205 -0.987857
C 2.712085 1.222070 1.203908
C -2.367169 0.015024 -0.393629
C 1.504532 -2.740694 1.009021
C -1.213845 -2.887139 -0.375793
C 3.044506 1.467419 -1.806301
C 2.346550 0.791202 2.621902
C -2.753753 1.006667 -1.316579
C -3.287462 -0.497635 0.535781
C -4.071917 1.461680 -1.312109
C -4.604829 -0.032275 0.516448
C -5.001927 0.940784 -0.404689
H 4.456032 0.214275 -0.712185
H 3.215062 -0.696420 -1.607574
H 3.762920 1.592322 1.179544
H 2.057273 2.072512 0.897403
H 2.469649 -2.392635 1.439267
H 1.753590 -3.503318 0.255653
H 0.951407 -3.232619 1.822597
H -1.036266 -3.731832 0.310669
H -0.780011 -3.122345 -1.361630
H -2.306465 -2.782113 -0.509504
H 1.974437 1.518808 -2.099007
H 3.290154 2.404570 -1.276513
H 2.347492 1.652043 3.315899
H 1.356570 0.297554 2.667831
H -2.022069 1.425521 -2.011819
H -2.981098 -1.234298 1.276333
H -4.376846 2.230415 -2.022412
H -5.324152 -0.428801 1.232372
H -6.029208 1.298321 -0.412845


%chk=000198355-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000198355

0 1
Cl 4.688567 0.521937 -3.213467
Cl 3.528584 -0.094342 3.389476
O -0.024611 1.847966 -0.576141
N 2.490904 0.264892 0.322244
N -0.645263 -1.610372 0.064675
N -1.076071 -0.306331 -0.346952
C 1.179179 -0.220083 0.112492
C 0.737830 -1.525647 0.308995
C 0.039712 0.604829 -0.318998
C 3.522226 0.002934 -0.698957
C 2.643085 1.453348 1.183915
C -2.459263 0.047516 -0.307295
C 1.550540 -2.715490 0.718401
C -1.220313 -2.757681 -0.679881
C 3.377456 0.951584 -1.905487
C 2.321182 1.168112 2.650932
C -2.919325 1.110308 -1.126728
C -3.359169 -0.630397 0.556530
C -4.279346 1.481782 -1.078514
C -4.720344 -0.259368 0.577389
C -5.188357 0.796382 -0.238826
H 4.524057 0.117834 -0.246653
H 3.437230 -1.042037 -1.046819
H 3.682413 1.817027 1.098367
H 1.966566 2.277618 0.860473
H 2.475090 -2.345942 1.194695
H 1.838221 -3.353318 -0.139784
H 1.009864 -3.345966 1.446108
H -0.863081 -3.686022 -0.207689
H -0.916236 -2.744481 -1.744935
H -2.318808 -2.732054 -0.619936
H 2.404873 0.843798 -2.407446
H 3.557881 2.004702 -1.643807
H 2.424424 2.071477 3.271693
H 1.323984 0.720787 2.780210
H -2.211471 1.641169 -1.766988
H -2.984188 -1.411119 1.226587
H -4.630094 2.307667 -1.706915
H -5.411244 -0.785587 1.245438
H -6.244388 1.085568 -0.215201


