%chk=000298349.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000298349

0 1
O 4.527345 -1.835033 1.195294
O -4.528144 -1.832535 -1.196126
O 3.363436 1.759553 -1.257780
O -3.362111 1.760399 1.258314
O 2.349068 -1.357340 1.543137
O -2.349661 -1.355917 -1.544024
N 3.689516 -0.008375 0.107196
N -3.689108 -0.006947 -0.107159
C 5.142362 -0.025613 -0.255026
C -5.141962 -0.023447 0.255094
C 5.663175 -1.288199 0.446955
C -5.663592 -1.285376 -0.447445
C 1.377204 0.917905 -0.213545
C -1.376315 0.918307 0.213672
C 2.839116 0.963547 -0.507540
C -2.838187 0.964386 0.507793
C 3.379933 -1.085848 0.994323
C -3.380163 -1.084390 -0.994547
C 0.880546 0.924670 1.095588
C -0.500133 0.927967 1.309374
C 0.501047 0.927731 -1.309236
C -0.879646 0.924858 -1.095445
H 5.634916 0.905221 0.101155
H 5.266672 -0.056246 -1.359667
H -5.633942 0.907834 -0.100704
H -5.266269 -0.054436 1.359728
H 5.973258 -2.093379 -0.239571
H 6.440649 -1.098241 1.204920
H -5.974134 -2.090710 0.238693
H -6.440992 -1.094552 -1.205269
H 1.561462 0.908938 1.949530
H -0.894504 0.937885 2.328237
H 0.895398 0.937476 -2.328106
H -1.560540 0.909309 -1.949414


%chk=000298349-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000298349

0 1
O 5.156467 -1.410483 1.361147
O -5.156895 -1.409309 -1.359983
O 3.124424 1.046492 -1.848180
O -3.123599 1.048392 1.847736
O 2.868638 -1.852606 1.329647
O -2.869211 -1.852292 -1.328365
N 3.854349 -0.076858 0.023778
N -3.854033 -0.074898 -0.024106
C 5.251334 0.253559 -0.365300
C -5.250863 0.256289 0.364923
C 6.046571 -0.343145 0.814080
C -6.046382 -0.340872 -0.814001
C 1.378068 0.344921 -0.335953
C -1.377547 0.345810 0.335589
C 2.802546 0.446303 -0.779626
C -2.801959 0.448065 0.779210
C 3.827529 -1.173794 0.942564
C -3.827786 -1.172711 -0.941858
C 0.977798 0.350833 1.025257
C -0.388253 0.367815 1.353609
C 0.388799 0.366747 -1.353984
C -0.977269 0.350643 -1.025622
H 5.376152 1.341718 -0.472867
H 5.496350 -0.219312 -1.332584
H -5.375300 1.344557 0.471799
H -5.495970 -0.215915 1.332513
H 6.988679 -0.823850 0.514768
H 6.227182 0.389166 1.619558
H -6.988862 -0.820673 -0.514427
H -6.226336 0.390866 -1.620153
H 1.720347 0.353840 1.826386
H -0.710009 0.404234 2.398583
H 0.710553 0.402364 -2.398986
H -1.719810 0.353511 -1.826753


