%chk=000227616.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227616

0 1
O -2.730812 1.594893 0.375410
C 1.260815 -0.183023 0.548868
C 2.439157 0.270901 -0.342140
C 0.028220 0.760420 0.447073
C 0.719403 -1.593357 0.164408
C -1.153852 -0.156639 0.241212
C -0.774745 -1.436457 0.086974
C 2.906457 1.678481 0.052586
C 3.613310 -0.712786 -0.237737
C -2.524408 0.408553 0.224471
C -3.658425 -0.558441 0.011829
H 1.603833 -0.210193 1.607524
H 2.092618 0.298301 -1.405072
H 0.108948 1.474060 -0.393997
H -0.092852 1.376973 1.354876
H 1.014741 -2.351556 0.909185
H 1.121269 -1.938965 -0.806431
H -1.403946 -2.295904 -0.080579
H 2.109856 2.420747 -0.068614
H 3.749048 2.003811 -0.567273
H 3.235062 1.719281 1.096667
H 3.337643 -1.715834 -0.577423
H 4.458725 -0.382880 -0.851865
H 3.976124 -0.801228 0.792059
H -3.696232 -1.320109 0.800043
H -3.575764 -1.076626 -0.951178
H -4.625593 -0.033123 0.018424


%chk=000227616-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000227616

0 1
O -2.800154 1.627490 0.306928
C 1.228117 -0.164915 0.376161
C 2.544123 0.289191 -0.306019
C 0.014480 0.796318 0.155247
C 0.702483 -1.565691 -0.091283
C -1.193371 -0.133642 0.157045
C -0.803656 -1.439106 0.020302
C 2.976258 1.692426 0.183583
C 3.683291 -0.733355 -0.075103
C -2.584019 0.376982 0.245902
C -3.741814 -0.620676 0.267284
H 1.415231 -0.228191 1.469528
H 2.347771 0.349900 -1.399323
H 0.084376 1.320069 -0.820821
H -0.068506 1.583835 0.923387
H 1.108473 -2.404686 0.504224
H 0.987559 -1.767195 -1.148016
H -1.481000 -2.298495 -0.040714
H 2.200077 2.452918 -0.014668
H 3.905321 2.017117 -0.320618
H 3.170080 1.682017 1.273941
H 3.427555 -1.733061 -0.471152
H 4.615899 -0.404267 -0.569727
H 3.896037 -0.841303 1.006480
H -3.648855 -1.315124 1.122578
H -3.755826 -1.229552 -0.655654
H -4.691329 -0.069706 0.349807


