%chk=000181969.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000181969

0 1
O -3.188911 -1.685722 -0.415419
O -4.582070 -0.099406 1.293794
O -4.093908 2.067361 1.041071
N -0.125543 0.980393 0.021765
N 2.681788 -0.101118 0.171636
C 0.205633 -0.398922 -0.158731
C 1.539364 -0.904552 -0.159824
C -0.853302 -1.326761 -0.293371
C 0.837121 2.078681 -0.332148
C -1.413379 1.326280 0.382799
C -2.290706 -0.928440 -0.120070
C -2.454701 0.430298 0.404872
C 1.777995 -2.258393 -0.438898
C -0.589793 -2.678759 -0.565467
C 0.718610 -3.140503 -0.666789
C 0.151322 3.273005 -0.983046
C 3.755812 0.189261 -0.688891
C 2.936065 0.465064 1.433271
C 4.670461 0.951866 0.031840
C 4.160889 1.121981 1.354469
C -3.742468 0.908694 0.906924
H 1.377116 2.387014 0.594907
H 1.597147 1.677326 -1.044478
H -1.590376 2.383947 0.661433
H 2.808019 -2.627475 -0.457632
H -1.441730 -3.360432 -0.692963
H 0.919321 -4.186824 -0.897504
H -0.483413 2.982329 -1.832057
H -0.472239 3.847722 -0.285697
H 0.903873 3.972669 -1.376827
H 3.788994 -0.151389 -1.705814
H 2.263378 0.350457 2.262226
H 5.599871 1.342654 -0.332133
H 4.647544 1.657850 2.144975
H -5.463285 0.249945 1.604377


%chk=000181969-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000181969

0 1
O -3.186329 -1.988275 -0.014903
O -4.886093 0.071862 0.821586
O -4.011881 2.213192 0.798357
N -0.162515 0.925919 -0.001865
N 2.709444 -0.080534 0.102639
C 0.208005 -0.450037 -0.101760
C 1.565702 -0.919232 -0.159672
C -0.843442 -1.425896 -0.147115
C 0.815391 2.032192 -0.320190
C -1.472403 1.243593 0.244871
C -2.296392 -1.081983 0.060186
C -2.530360 0.340483 0.338682
C 1.830426 -2.283605 -0.396325
C -0.539266 -2.790507 -0.375420
C 0.784568 -3.222797 -0.538107
C 0.175144 3.399177 -0.599194
C 3.688638 0.294416 -0.829609
C 3.068382 0.415593 1.365942
C 4.660003 1.045839 -0.158477
C 4.270020 1.120079 1.227500
C -3.835503 0.967893 0.659907
H 1.540334 2.122036 0.506103
H 1.377852 1.708476 -1.211478
H -1.710682 2.301502 0.366638
H 2.878358 -2.600106 -0.426015
H -1.390076 -3.479022 -0.411932
H 1.012440 -4.276292 -0.725869
H -0.583909 3.356102 -1.400168
H -0.279601 3.856829 0.296587
H 0.980672 4.076699 -0.933671
H 3.603440 0.002026 -1.874371
H 2.459649 0.200657 2.242038
H 5.548524 1.483554 -0.610952
H 4.810299 1.616479 2.032189
H -5.704337 0.599790 1.036469


