%chk=000190036.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000190036

0 1
O -5.254622 2.453457 1.176789
O 4.253736 2.479618 0.156090
O 1.475171 -3.505283 0.430141
O 2.093823 2.679712 0.708018
N 0.258665 -2.073001 -0.676364
N 0.374855 -3.152885 0.095309
C -1.627387 -0.554428 -0.041372
C -1.121974 -1.624682 -1.021648
C -3.019376 -0.056763 -0.445579
C 1.406187 -1.239576 -1.142575
C -3.529604 1.000962 0.536880
C 1.679105 -0.082890 -0.170979
C 2.855024 0.770372 -0.649552
C -4.922133 1.498437 0.146433
C 2.947797 2.039907 0.143533
H -0.910925 0.297021 0.000716
H -1.652323 -0.968226 0.987551
H -1.120977 -1.238019 -2.064353
H -1.802897 -2.508756 -1.007123
H -3.728063 -0.908211 -0.483319
H -2.989618 0.363855 -1.470031
H 1.194219 -0.860952 -2.164269
H 2.306232 -1.897138 -1.219233
H -3.563818 0.600270 1.571168
H -2.834800 1.864447 0.590201
H 1.886553 -0.482357 0.844501
H 0.764573 0.548341 -0.058465
H 2.750429 1.034865 -1.725757
H 3.812053 0.204102 -0.581921
H -4.928243 2.010917 -0.831135
H -5.675498 0.691458 0.153213
H -6.132371 2.840468 1.006158
H 4.371107 3.328160 0.661673


%chk=000190036-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000190036

0 1
O -5.660079 2.536174 0.861638
O 4.816697 2.312072 -0.009344
O 1.779711 -3.284280 0.098032
O 3.038069 2.122803 1.470960
N 0.230068 -1.860001 -0.691462
N 0.518617 -3.057243 -0.056335
C -1.722475 -0.340318 -0.146927
C -1.202388 -1.584066 -0.902296
C -3.241150 -0.147351 -0.359783
C 1.303046 -0.963969 -1.174318
C -3.780456 1.114565 0.349566
C 1.892063 -0.062865 -0.062062
C 3.075087 0.761879 -0.603065
C -5.290507 1.291186 0.167417
C 3.590296 1.769817 0.407074
H -1.188619 0.567034 -0.493498
H -1.504912 -0.450740 0.932997
H -1.393139 -1.464207 -1.988717
H -1.736522 -2.489208 -0.561587
H -3.778123 -1.044603 0.012790
H -3.455896 -0.081684 -1.447557
H 0.885871 -0.353604 -1.996463
H 2.105153 -1.612111 -1.578860
H -3.559603 1.066568 1.433161
H -3.272708 2.017289 -0.042001
H 2.233049 -0.698111 0.773764
H 1.118060 0.614426 0.339748
H 2.784099 1.329515 -1.511154
H 3.917504 0.113750 -0.907914
H -5.539856 1.353678 -0.915283
H -5.830755 0.420064 0.599642
H -6.638267 2.675032 0.795197
H 5.122966 2.981710 0.661342


