%chk=000211788.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000211788

0 1
O 2.608048 -1.739407 -0.326659
O -1.686884 2.759257 -0.234455
O 0.218808 2.130828 -1.039595
N -0.354236 -0.588249 -0.552595
N -2.144171 0.116716 0.689872
N 2.624475 0.553055 -0.188704
N -0.864065 1.913401 -0.486916
C 0.816316 -0.567530 -1.432736
C -0.907554 -1.711047 0.051531
C -1.127535 0.526543 -0.128860
C -2.017491 -1.241671 0.807237
C 2.106582 -0.657620 -0.588544
C -0.374171 -3.072126 -0.102363
C 3.852484 0.620749 0.628714
H 0.792924 -1.444024 -2.127817
H 0.806493 0.347215 -2.081398
H -2.693115 -1.830981 1.408545
H 0.735514 -3.097332 -0.036800
H -0.748702 -3.746239 0.684882
H -0.650323 -3.521484 -1.069701
H 2.151149 1.438193 -0.391601
H 4.617811 1.233110 0.121989
H 4.276091 -0.391218 0.789834
H 3.639850 1.060260 1.618341


%chk=000211788-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000211788

0 1
O 2.742045 -1.783005 -0.320051
O -1.673419 2.788113 -0.146156
O 0.349415 2.151113 -0.998496
N -0.335623 -0.588333 -0.521336
N -2.115405 0.151182 0.716355
N 2.629736 0.555725 -0.194529
N -0.805839 1.885808 -0.418918
C 0.853796 -0.643387 -1.402238
C -0.931222 -1.716009 0.050911
C -1.087668 0.519087 -0.080736
C -2.022168 -1.223668 0.805618
C 2.174593 -0.677140 -0.585355
C -0.440858 -3.114554 -0.163257
C 3.849163 0.731908 0.603136
H 0.809484 -1.579727 -1.978242
H 0.825713 0.216888 -2.085248
H -2.724532 -1.799856 1.403685
H 0.645872 -3.198215 0.015310
H -0.967149 -3.795326 0.524652
H -0.638906 -3.465018 -1.195193
H 2.049243 1.370305 -0.440394
H 4.577810 1.367896 0.069096
H 4.294969 -0.260458 0.774574
H 3.619246 1.197070 1.579013


