%chk=000185622.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000185622

0 1
Cl -0.119426 2.085509 -1.324438
Cl -1.314817 -2.940926 0.162698
Cl -4.340614 -2.303184 -0.112917
Cl -3.150980 2.703621 -1.657300
Cl -5.256108 0.516226 -1.023749
O 1.345935 0.194912 1.559544
O 0.480032 -0.595523 -0.433856
O 3.774142 -1.409498 -1.404918
O 4.140575 1.385296 -0.598817
O 2.723861 -2.596191 1.510116
O 2.510069 3.209415 2.207467
C 3.482370 -0.903419 -0.099618
C 3.045136 0.578762 -0.191932
C 2.325917 -1.794484 0.407836
C 2.462499 1.037083 1.156391
C 1.078375 -0.983122 0.840386
C 1.914892 2.473216 1.135533
C -0.869597 -0.364634 -0.495237
C -1.282496 0.903977 -0.947482
C -1.821372 -1.373649 -0.258111
C -3.184502 -1.092644 -0.417614
C -2.646504 1.171415 -1.117124
C -3.599213 0.179686 -0.837933
H 4.394270 -1.034879 0.525451
H 2.309169 0.712438 -1.032278
H 2.057077 -2.550441 -0.381738
H 3.201500 0.924615 1.985110
H 0.377405 -1.523100 1.509762
H 0.812402 2.483962 1.220313
H 2.237781 3.030365 0.231815
H 4.277054 -0.734752 -1.924063
H 4.787774 1.521797 0.128216
H 3.006241 -2.044954 2.274231
H 2.064252 3.000707 3.055756


%chk=000185622-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000185622

0 1
Cl -0.387274 2.295687 -1.328278
Cl -1.150449 -3.023787 0.035141
Cl -4.333426 -2.624544 -0.152151
Cl -3.569571 2.691239 -1.604592
Cl -5.548837 0.234666 -0.979869
O 1.441190 0.385710 1.569003
O 0.432711 -0.445071 -0.487985
O 3.520696 -1.463081 -1.565628
O 4.400989 1.299276 -0.679821
O 2.735004 -2.278566 1.785892
O 2.049241 2.959168 2.610044
C 3.413548 -0.923762 -0.214098
C 3.180605 0.601174 -0.236070
C 2.277371 -1.691940 0.518137
C 2.713660 1.091730 1.147719
C 1.066276 -0.794603 0.826530
C 2.410690 2.590043 1.240185
C -0.953654 -0.303886 -0.543327
C -1.504873 0.937676 -0.953345
C -1.838798 -1.394123 -0.325576
C -3.236269 -1.232950 -0.450037
C -2.900232 1.104163 -1.094172
C -3.771918 0.021500 -0.826767
H 4.350320 -1.121561 0.360636
H 2.433733 0.850886 -1.006446
H 1.971005 -2.541948 -0.107389
H 3.470012 0.836708 1.923574
H 0.333194 -1.310085 1.467411
H 1.609134 2.849948 0.521521
H 3.315709 3.170278 1.000337
H 4.125027 -0.873561 -2.087758
H 5.141353 1.100190 -0.047387
H 2.783353 -1.566215 2.476413
H 1.243580 2.437243 2.859652


