%chk=000296419.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000296419

0 1
O 0.252461 0.208136 -1.043000
O -0.528332 -1.904566 -1.490733
O 0.125309 -0.207365 2.476537
O 2.118406 -1.687990 -0.576135
N -1.045497 -0.841250 0.556978
N 3.326301 -0.342421 0.784611
N 4.476098 -1.172476 0.766183
C -0.895933 -0.690191 -0.918175
C 0.973845 0.311215 0.201705
C -2.062512 -0.128485 -1.719972
C -0.007142 -0.250404 1.276371
C 1.310484 1.806819 0.417109
C -2.319864 -1.276021 1.172584
C -2.863336 0.943876 -0.980461
C -3.305132 -0.107821 1.324221
C -3.898721 0.368263 -0.005551
C 2.170414 -0.654792 0.083092
C 2.074110 2.346979 -0.791564
C 0.023336 2.597681 0.666303
H -2.713777 -0.971678 -2.037473
H -1.642336 0.289135 -2.663278
H 1.951387 1.886861 1.333135
H -2.087742 -1.714518 2.172471
H -2.749320 -2.087722 0.543151
H -3.384821 1.575031 -1.728652
H -2.163013 1.630791 -0.447768
H -2.805503 0.736667 1.841302
H -4.126157 -0.421574 2.000471
H -4.663504 1.143892 0.204719
H -4.448184 -0.463417 -0.489990
H 1.496741 2.195183 -1.717091
H 2.266748 3.421207 -0.697999
H 3.039503 1.849698 -0.933787
H -0.757689 2.341238 -0.073173
H 0.196993 3.676995 0.594176
H -0.385618 2.399968 1.665260
H 0.436187 -2.148183 -1.286361
H 3.435829 0.473808 1.391060
H 4.762907 -1.343222 -0.209958
H 4.240476 -2.101046 1.149882


%chk=000296419-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000296419

0 1
O 0.176067 0.407356 -1.148251
O -0.540306 -1.848551 -1.563040
O 0.164109 -0.003632 2.430030
O 2.014403 -1.640119 -0.725281
N -1.045379 -0.671548 0.500055
N 3.181022 -0.425733 0.854115
N 4.222948 -1.385634 0.987556
C -0.920967 -0.605786 -0.986940
C 0.967825 0.459798 0.088132
C -2.180629 -0.114561 -1.708907
C -0.009438 -0.077109 1.180781
C 1.433291 1.920374 0.336849
C -2.178576 -1.337495 1.158952
C -3.091595 0.849320 -0.914338
C -3.361082 -0.368829 1.393751
C -4.035576 0.151139 0.101864
C 2.108680 -0.604182 0.014334
C 2.379770 2.400470 -0.789026
C 0.227088 2.875763 0.487075
H -2.751075 -1.009036 -2.019342
H -1.817655 0.366111 -2.635698
H 1.969725 1.926667 1.309446
H -1.813362 -1.724437 2.127345
H -2.479008 -2.197941 0.532814
H -3.719196 1.395445 -1.644853
H -2.477737 1.613223 -0.398244
H -2.991329 0.483637 1.996196
H -4.116067 -0.892688 2.013313
H -4.832478 0.862788 0.395531
H -4.545278 -0.690772 -0.411876
H 1.852397 2.384904 -1.758763
H 2.711354 3.435430 -0.591288
H 3.279722 1.765769 -0.879520
H -0.363437 2.901014 -0.444884
H 0.586079 3.899495 0.696267
H -0.431293 2.572449 1.320446
H 0.451513 -1.973745 -1.368450
H 3.218330 0.352954 1.513051
H 4.749097 -1.463235 0.105867
H 3.831446 -2.300772 1.255128


