%chk=000267968.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000267968

0 1
Cl 5.654645 -2.458612 1.796271
Cl 7.310482 0.137146 1.354983
O -0.178676 0.143785 -1.718116
O -5.263278 -2.975901 1.411052
O -3.988000 -3.309897 -0.304153
O 1.405977 1.802062 -1.742739
N -2.048272 1.462718 -1.169832
N -2.005220 2.745545 -0.686597
N -4.479247 -2.598483 0.557864
N 1.748375 -0.271075 -0.655717
C -2.871891 0.649676 -0.354293
C -3.398108 1.520263 0.661381
C -3.208650 -0.711403 -0.412951
C -1.177815 1.036881 -2.268818
C -2.811877 2.818167 0.386181
C -4.286854 1.017172 1.625581
C -4.087310 -1.164693 0.563919
C -4.628089 -0.323422 1.573286
C 3.094641 -0.133180 -0.192378
C 1.067079 0.700134 -1.388237
C 3.652083 -1.233927 0.490300
C 3.839892 1.043448 -0.394364
C 4.959530 -1.131705 0.963143
C 5.145654 1.122481 0.086682
C 5.707687 0.035714 0.766056
H -2.799867 -1.379907 -1.175596
H -1.722497 0.366436 -2.971247
H -0.698185 1.915188 -2.766971
H -2.977120 3.732678 0.938053
H -4.692530 1.675388 2.394238
H -5.316892 -0.758980 2.306043
H 1.262729 -1.155023 -0.462636
H 3.085627 -2.150927 0.652638
H 3.402531 1.898419 -0.925073
H 5.731647 2.032737 -0.065549


%chk=000267968-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000267968

0 1
Cl 6.189131 -2.293471 1.886971
Cl 7.948732 0.297850 0.851096
O -0.046425 0.017216 -1.244385
O -6.120566 -2.864572 0.996583
O -4.556338 -3.281671 -0.610008
O 1.543259 1.701285 -1.739521
N -2.049965 1.298876 -0.858191
N -1.938385 2.600150 -0.339564
N -5.126849 -2.508100 0.253853
N 2.054114 -0.225288 -0.452536
C -3.073053 0.582686 -0.231072
C -3.661515 1.480515 0.726489
C -3.526043 -0.738675 -0.410482
C -1.113742 0.845369 -1.856119
C -2.907932 2.702980 0.600832
C -4.752693 1.042604 1.524131
C -4.608330 -1.123794 0.401297
C -5.228113 -0.265487 1.358106
C 3.437778 -0.061585 -0.172997
C 1.245210 0.618584 -1.187461
C 4.068387 -1.075895 0.592108
C 4.189747 1.056509 -0.620074
C 5.435400 -0.972168 0.906142
C 5.557730 1.141116 -0.296285
C 6.189313 0.135484 0.464275
H -3.085980 -1.450632 -1.112805
H -1.615181 0.182789 -2.577300
H -0.660548 1.724414 -2.341899
H -3.028945 3.640104 1.141030
H -5.215115 1.711526 2.256035
H -6.063406 -0.655474 1.944286
H 1.588623 -1.057888 -0.083808
H 3.505788 -1.946465 0.945705
H 3.708603 1.841162 -1.206151
H 6.145512 1.998849 -0.635876


