%chk=000180797.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180797

0 1
S 5.340185 0.621996 -0.755050
F 5.684025 -1.503768 0.741564
F 5.446584 0.272966 1.836402
F 8.036095 -0.166298 -0.518813
F 8.200590 -0.877841 1.460037
F -5.439879 -0.423863 -2.120128
F -5.167628 0.283224 2.507134
O -1.250980 1.681517 0.612537
O -4.044658 2.027457 -0.216526
N -0.554432 -0.176738 -0.609543
N -2.830104 0.067411 0.008815
C 3.032621 -0.706234 -1.407455
C 3.623016 0.341328 -0.675173
C 0.855370 0.047993 -0.614396
C 1.637764 -0.846856 -1.372145
C 2.840649 1.232356 0.071590
C 1.456883 1.096385 0.106947
C 3.845238 -1.663063 -2.208332
C 6.019689 -0.203036 0.713256
C -1.507320 0.646570 0.052147
C -5.240133 -0.015491 0.181052
C 7.545634 0.051118 0.724256
C -4.030065 0.843289 -0.018637
C -5.935363 -0.583869 -0.897028
C -5.794273 -0.225760 1.452967
C -7.110715 -1.321929 -0.742128
C -6.967735 -0.956665 1.659479
C -7.622535 -1.497514 0.548564
H 1.171518 -1.652556 -1.933298
H 3.312939 2.045024 0.632427
H 0.849877 1.802230 0.684424
H 4.637236 -1.162392 -2.788718
H 4.354414 -2.392583 -1.556515
H 3.245747 -2.240431 -2.924421
H -0.885420 -0.955482 -1.185633
H 7.835561 1.073233 1.070592
H -2.916563 -0.951755 0.060348
H -7.625207 -1.745092 -1.605871
H -7.369842 -1.095983 2.664226
H -8.545784 -2.065599 0.689744


%chk=000180797-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000180797

0 1
S 5.476751 0.719055 -0.905283
F 5.793002 -1.797737 0.167422
F 5.364756 -0.168204 1.693053
F 8.299404 -0.328292 -0.463247
F 8.028642 -1.234613 1.629603
F -4.308880 -1.664453 -1.221312
F -6.272561 1.302623 2.092279
O -1.238487 1.782522 0.956873
O -4.131320 2.068458 0.493083
N -0.563571 0.076506 -0.530090
N -2.788264 0.167065 0.158996
C 2.987240 -0.508575 -1.553819
C 3.648312 0.472014 -0.760401
C 0.844713 0.260303 -0.568948
C 1.582085 -0.591048 -1.435983
C 2.924412 1.327843 0.096682
C 1.523386 1.237718 0.204191
C 3.729719 -1.446991 -2.485148
C 6.057067 -0.427126 0.463766
C -1.494288 0.781348 0.250957
C -5.223670 -0.096835 0.406808
C 7.563158 -0.220877 0.752917
C -4.017653 0.828438 0.364364
C -5.389683 -1.255764 -0.389580
C -6.343436 0.213207 1.225814
C -6.546205 -2.044568 -0.428312
C -7.528741 -0.542211 1.238175
C -7.628836 -1.672091 0.399021
H 1.052103 -1.343762 -2.034724
H 3.461437 2.076633 0.686088
H 0.963401 1.907463 0.857687
H 4.387624 -0.891648 -3.176745
H 4.379047 -2.134928 -1.914829
H 3.026121 -2.050730 -3.082493
H -0.936075 -0.610586 -1.190364
H 7.765495 0.764239 1.207106
H -2.832593 -0.826838 -0.082281
H -6.589085 -2.916644 -1.085333
H -8.344675 -0.241101 1.899998
H -8.546851 -2.266514 0.392707


