%chk=000188014.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000188014

0 1
Cl 0.600601 0.548190 -1.714437
Cl -1.253289 -2.870907 2.085529
Cl -1.970234 1.657203 -2.917356
Cl -3.507489 2.819803 -0.835973
Cl -0.703637 3.238261 -0.898689
P 2.390958 -1.403735 0.765711
O 2.405404 0.204459 0.445407
O 3.442107 -2.066369 -0.285640
O 2.609920 -1.807166 2.162765
N 0.824637 -1.919726 0.085501
N -2.697582 0.443742 0.490228
C 2.600769 1.084703 1.600720
C 3.357628 -1.712331 -1.697893
C -0.324163 -1.107305 0.241843
C 1.581018 2.202632 1.393784
C 4.047494 -0.372486 -1.951151
C -0.530385 0.057875 -0.543915
C -1.372114 -1.468708 1.122660
C 1.737783 3.287794 2.450789
C 4.224603 -0.134921 -3.446231
C -1.716656 0.801798 -0.380809
C -2.530792 -0.678919 1.221604
C -1.977123 2.046974 -1.194668
H 0.615852 -2.935687 0.227920
H 3.644546 1.442006 1.510551
H 2.469537 0.555790 2.565208
H 2.310260 -1.730910 -2.050929
H 3.914113 -2.559904 -2.149237
H 1.706467 2.624637 0.373662
H 0.552114 1.790147 1.408497
H 3.463303 0.461160 -1.499711
H 5.029726 -0.356112 -1.436064
H 2.728684 3.755681 2.415998
H 0.997964 4.085474 2.303118
H 1.590903 2.896710 3.464984
H 3.263763 -0.123645 -3.974747
H 4.707477 0.832558 -3.633650
H 4.852112 -0.903800 -3.912578
H -3.348379 -0.946466 1.907898


%chk=000188014-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000188014

0 1
Cl 0.512463 0.360373 -2.067112
Cl -1.312384 -2.879826 2.077502
Cl -2.381392 1.523975 -3.318702
Cl -3.829173 2.768677 -1.002082
Cl -0.895191 3.284947 -1.317819
P 2.320595 -1.259544 0.830574
O 2.160696 0.428347 0.552308
O 3.496765 -1.946629 -0.211013
O 2.611006 -1.680222 2.332376
N 0.780506 -1.808513 0.112042
N -2.886043 0.351803 0.196173
C 2.688049 1.390132 1.577288
C 3.478138 -1.763434 -1.695221
C -0.430480 -1.080096 0.113725
C 1.534978 2.269427 2.068934
C 4.212454 -0.485877 -2.119079
C -0.690447 0.011738 -0.771754
C -1.503539 -1.455524 0.973769
C 2.051538 3.384010 3.007680
C 4.298102 -0.386242 -3.659300
C -1.909175 0.742102 -0.665146
C -2.712341 -0.740868 0.977001
C -2.234996 1.982213 -1.503687
H 0.649226 -2.815943 0.277331
H 3.456978 1.985096 1.053633
H 3.152135 0.826358 2.408865
H 2.431319 -1.770794 -2.053347
H 3.997926 -2.666460 -2.060137
H 1.023355 2.714430 1.195210
H 0.795093 1.639362 2.597552
H 3.680506 0.392775 -1.710044
H 5.227755 -0.494285 -1.680537
H 2.771701 4.043942 2.488982
H 1.214663 4.011672 3.360546
H 2.555393 2.962543 3.897313
H 3.291955 -0.360608 -4.118648
H 4.826886 0.534869 -3.961215
H 4.845987 -1.245243 -4.089976
H -3.543108 -1.030182 1.626715


