%chk=000190421.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000190421

0 1
Cl 3.994493 1.961053 -0.000632
O 3.342873 -2.344792 -0.000215
O 4.686523 -0.657001 -0.001729
N 3.572905 -1.143509 -0.000623
N -2.441192 -0.042359 0.000346
N -3.610487 -0.750094 0.000769
N -5.935237 -0.781428 0.000325
N -4.898909 1.358328 -0.000313
C -0.040791 -0.079131 0.000468
C 2.392720 -0.247171 -0.000252
C 1.124170 -0.856936 0.000115
C 0.073881 1.326702 0.000529
C 2.488472 1.152677 -0.000218
C 1.326172 1.935921 0.000192
C -1.347586 -0.762385 0.000791
C -4.757030 -0.032793 0.000191
H 1.065114 -1.954393 0.000098
H -0.832558 1.939854 0.000860
H 1.407125 3.025276 0.000252
H -1.313402 -1.863196 0.001395
H -6.841499 -0.359456 0.000910
H -5.877676 -1.789527 0.001700
H -5.785951 1.821470 -0.002792
H -4.072429 1.937689 -0.001568


%chk=000190421-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000190421

0 1
Cl 4.048705 2.118535 -0.000245
O 3.282536 -2.429488 0.002196
O 4.738286 -0.684923 -0.003031
N 3.544180 -1.161831 0.000207
N -2.513501 -0.052660 0.000072
N -3.667005 -0.855130 0.000339
N -5.988775 -0.763586 -0.000069
N -4.773422 1.281761 0.000511
C -0.082026 -0.056306 0.000074
C 2.382331 -0.226113 0.000069
C 1.103364 -0.830280 0.000307
C 0.049552 1.364999 -0.000350
C 2.497212 1.188963 -0.000328
C 1.314853 1.968665 -0.000493
C -1.379783 -0.732221 0.000267
C -4.786505 -0.091638 0.000259
H 1.063619 -1.923592 0.000685
H -0.856020 1.978476 -0.000538
H 1.408692 3.058551 -0.000734
H -1.394377 -1.834867 0.000600
H -6.887723 -0.292910 0.001451
H -5.944124 -1.779873 -0.000331
H -5.605552 1.861993 -0.000908
H -3.834817 1.688275 0.000589


