%chk=000239053.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000239053

0 1
O 0.240374 1.408924 -1.417613
O 2.911480 1.448747 -0.586430
O 4.709460 0.104702 0.931463
N 1.169402 0.156623 0.281985
N 3.461093 -0.477188 0.626062
C -1.320702 0.300241 0.120329
C -2.441710 0.809448 -0.823031
C -1.472856 0.961643 1.510919
C -2.521451 2.339483 -0.885024
C -1.501320 2.492522 1.417729
C -2.642714 2.965352 0.508590
C -1.413029 -1.220435 0.165205
C 0.061970 0.710024 -0.455144
C -0.938720 -1.968017 -0.927933
C -1.993241 -1.894444 1.247583
C -1.027180 -3.360842 -0.924902
C -2.081478 -3.290716 1.248224
C -1.596319 -4.027764 0.165739
C 2.541187 0.505681 0.065603
C 5.566756 0.119899 -0.250092
H -3.408069 0.394802 -0.475326
H -2.279761 0.409498 -1.843639
H -0.663735 0.638952 2.190657
H -2.419340 0.610692 1.972994
H -3.379208 2.640573 -1.514586
H -1.615496 2.734147 -1.396885
H -0.533388 2.872611 1.032491
H -1.615129 2.925928 2.428999
H -2.627082 4.068860 0.427307
H -3.619217 2.704938 0.958849
H -0.500994 -1.463233 -1.790976
H -2.393363 -1.338223 2.095454
H 0.957045 -0.605420 0.933804
H -0.653655 -3.929256 -1.776381
H -2.534637 -3.802373 2.096410
H -1.664315 -5.114123 0.167040
H 3.194828 -0.923280 1.510079
H 6.498666 0.502938 0.181405
H 5.156018 0.811213 -0.997123
H 5.688627 -0.885827 -0.656935


%chk=000239053-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000239053

0 1
O 0.369578 1.373914 -1.422416
O 2.936632 1.775193 0.198745
O 4.742146 -0.309826 0.928383
N 1.151831 0.203179 0.442647
N 3.363737 -0.493030 0.589476
C -1.307542 0.330204 0.110331
C -2.376845 0.838951 -0.912903
C -1.564042 1.021739 1.487977
C -2.505021 2.380828 -0.984917
C -1.597638 2.563120 1.382739
C -2.708009 3.017265 0.408403
C -1.376345 -1.215430 0.195771
C 0.126643 0.708341 -0.386097
C -1.077456 -1.981963 -0.965884
C -1.733788 -1.911194 1.379423
C -1.140343 -3.390247 -0.947194
C -1.799212 -3.325284 1.400714
C -1.504397 -4.071504 0.239340
C 2.532518 0.604333 0.388063
C 5.533420 0.067488 -0.281195
H -3.347971 0.397527 -0.609723
H -2.139610 0.445647 -1.918070
H -0.807840 0.708181 2.234452
H -2.550194 0.679343 1.862836
H -3.356195 2.634542 -1.646666
H -1.593412 2.793273 -1.451463
H -0.616625 2.943925 1.035308
H -1.768050 2.991624 2.389078
H -2.714998 4.120592 0.322843
H -3.695777 2.718364 0.818638
H -0.787508 -1.468101 -1.890794
H -1.974332 -1.359870 2.293426
H 0.879254 -0.489614 1.146683
H -0.907240 -3.957405 -1.855494
H -2.083353 -3.839984 2.325754
H -1.557101 -5.165726 0.255674
H 3.048889 -1.465487 0.623219
H 6.562816 0.156964 0.099499
H 5.173298 1.032057 -0.673808
H 5.468880 -0.724626 -1.049900


