%chk=000227559.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227559

0 1
O 1.739333 -0.352285 0.011736
O 4.504910 0.891880 -0.650580
C -1.945662 -0.966878 -0.220495
C -2.333597 0.507532 -0.496089
C -1.545699 1.506027 0.373273
C -0.415631 -1.144230 -0.373563
C 0.373850 -0.132927 0.464240
C -0.030756 1.317215 0.170579
C -2.395122 -1.389204 1.190468
C -2.649616 -1.868023 -1.255888
C -1.954862 2.946374 0.044299
C 2.766086 0.153535 0.893308
C 4.070647 -0.197522 0.172662
H -3.417286 0.644043 -0.330528
H -2.162467 0.735724 -1.565054
H -1.786902 1.309773 1.448035
H -0.123144 -1.031066 -1.436859
H -0.112407 -2.170975 -0.098913
H 0.314412 -0.361016 1.548943
H 0.255474 1.571941 -0.868313
H 0.533354 2.015598 0.812594
H -2.118170 -2.426187 1.404962
H -1.943290 -0.761423 1.964951
H -3.481357 -1.311453 1.302377
H -2.400754 -2.923036 -1.102123
H -3.738466 -1.778043 -1.189522
H -2.362034 -1.611374 -2.280355
H -1.419314 3.667298 0.671137
H -1.742975 3.201770 -0.999856
H -3.026518 3.103547 0.207354
H 2.650130 1.245018 1.014345
H 2.680856 -0.345178 1.873417
H 3.946050 -1.103406 -0.451922
H 4.913090 -0.330028 0.876145
H 3.835938 1.064578 -1.348667


%chk=000227559-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000227559

0 1
O 1.823077 -0.349000 0.007141
O 4.308630 0.470379 -1.018337
C -1.950505 -0.964529 -0.259892
C -2.361649 0.526837 -0.452234
C -1.547915 1.528371 0.405909
C -0.411594 -1.096867 -0.469830
C 0.409367 -0.120671 0.387495
C -0.029105 1.338677 0.148585
C -2.360832 -1.471596 1.150605
C -2.674269 -1.831781 -1.322028
C -1.979722 2.984329 0.125087
C 2.814058 0.231057 0.927820
C 4.175524 -0.114171 0.319606
H -3.442882 0.639463 -0.232144
H -2.224116 0.796635 -1.521684
H -1.746217 1.317431 1.478432
H -0.168850 -0.892770 -1.532670
H -0.084721 -2.132565 -0.256217
H 0.298826 -0.369303 1.467791
H 0.201242 1.602868 -0.904291
H 0.544946 2.032087 0.793523
H -2.074515 -2.532407 1.280603
H -1.886976 -0.895680 1.965845
H -3.456964 -1.397741 1.283557
H -2.399395 -2.898793 -1.219558
H -3.773057 -1.753109 -1.215558
H -2.408215 -1.509897 -2.346806
H -1.416276 3.700175 0.752613
H -1.798157 3.249237 -0.934530
H -3.057246 3.128678 0.328978
H 2.694959 1.332220 0.991275
H 2.703219 -0.207475 1.944349
H 4.291794 -1.217759 0.282621
H 4.992704 0.315787 0.923162
H 3.472932 0.239482 -1.503118


