%chk=000179645.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000179645

0 1
O -1.831360 -0.662011 -0.806453
O -1.552654 0.101385 1.297832
C 0.835979 1.572314 0.082904
C 0.309689 0.159035 -0.345735
C 1.257828 -1.023435 0.011438
C -0.208515 2.627148 -0.333466
C 1.069705 1.660363 1.595997
C 2.153993 1.849706 -0.665732
C -1.071330 -0.100747 0.207534
C 1.195569 -2.084552 -1.095628
C 0.949649 -1.663613 1.367701
C -3.197752 -1.025813 -0.485164
H 0.221159 0.186612 -1.468188
H 2.301011 -0.611959 0.047142
H 0.167143 3.641880 -0.163292
H -0.472101 2.552799 -1.392455
H -1.133020 2.532353 0.249483
H 1.340625 2.675708 1.901334
H 0.159981 1.385215 2.152895
H 1.871156 0.993662 1.928142
H 2.908950 1.084206 -0.446834
H 2.576866 2.816236 -0.371646
H 2.011177 1.873389 -1.750329
H 1.578778 -1.702768 -2.047326
H 0.164866 -2.421858 -1.269099
H 1.788175 -2.967787 -0.834505
H 1.764079 -2.321469 1.687826
H 0.802451 -0.911592 2.153701
H 0.036467 -2.270350 1.340956
H -3.185533 -1.950819 0.098288
H -3.653076 -1.169459 -1.469790
H -3.684256 -0.221582 0.077367


%chk=000179645-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000179645

0 1
O -1.836770 -0.777549 -0.846700
O -1.647112 0.254408 1.225217
C 0.861456 1.606997 0.099536
C 0.304993 0.196495 -0.340218
C 1.215182 -1.043271 0.045492
C -0.182561 2.702802 -0.258146
C 1.185743 1.685988 1.614557
C 2.152364 1.896028 -0.718776
C -1.122671 -0.059601 0.131143
C 1.259531 -2.063668 -1.117539
C 0.809550 -1.751857 1.362619
C -3.225629 -1.146550 -0.478867
H 0.255395 0.216830 -1.446663
H 2.238462 -0.643577 0.186101
H 0.242562 3.707166 -0.074331
H -0.469710 2.647772 -1.326301
H -1.095150 2.603619 0.354500
H 1.546303 2.701574 1.865472
H 0.288770 1.474689 2.220742
H 1.980902 0.972705 1.899857
H 2.948870 1.154527 -0.524725
H 2.553351 2.890320 -0.447606
H 1.944050 1.899302 -1.805878
H 1.672433 -1.607674 -2.036854
H 0.243667 -2.432588 -1.350034
H 1.890672 -2.933278 -0.854376
H 1.574884 -2.502755 1.633299
H 0.702145 -1.046834 2.203344
H -0.153056 -2.285366 1.248585
H -3.231405 -1.758903 0.438851
H -3.602360 -1.716173 -1.340108
H -3.829160 -0.239379 -0.307295


