%chk=000193359.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000193359

0 1
O 5.558821 -0.668809 -0.351117
O 6.044688 1.780774 0.290873
O -6.526471 0.580088 -0.960881
O 3.982746 2.447361 -0.259555
C 1.845551 -0.082861 0.206955
C 0.921267 -1.227006 -0.330055
C -0.486587 -1.133257 0.273865
C -1.109881 0.218069 -0.176683
C 3.212993 -0.503984 -0.425219
C 1.257200 1.239917 -0.311869
C -2.550647 0.407854 0.401971
C 1.746652 -2.504160 -0.111930
C -0.192916 1.412202 0.169906
C 3.201320 -2.060220 -0.379983
C -1.372391 -2.295701 -0.200776
C 1.942074 -0.057351 1.739772
C -3.404500 -0.825318 0.099509
C -2.788283 -2.171096 0.366767
C -3.172048 1.661209 -0.275086
C 4.474601 0.036087 0.263138
C -2.540137 0.584264 1.931018
C -4.677457 1.783329 -0.056119
C -4.680289 -0.741986 -0.313199
C -5.403129 0.529580 -0.503868
C 4.707346 1.535932 0.041811
H 0.816275 -1.091590 -1.438745
H -0.421200 -1.157330 1.387856
H -1.208694 0.181495 -1.291734
H 3.237981 -0.175688 -1.492008
H 1.299633 1.275312 -1.416323
H 1.868655 2.102245 0.024782
H 1.438342 -3.314716 -0.790168
H 1.629693 -2.892904 0.912890
H -0.193912 1.581552 1.264524
H -0.605361 2.337574 -0.276946
H 3.884850 -2.445326 0.395118
H 3.579602 -2.464943 -1.333808
H -0.930661 -3.262130 0.107953
H -1.412207 -2.323082 -1.307411
H 2.439293 -0.950215 2.132282
H 2.478763 0.827492 2.094607
H 0.944031 -0.025990 2.197393
H -2.775064 -2.336493 1.466569
H -3.421514 -2.986795 -0.040714
H -2.968160 1.628766 -1.365069
H -2.670160 2.574506 0.098624
H 4.489533 -0.164052 1.362213
H -2.011826 -0.237189 2.427749
H -2.043335 1.516398 2.222725
H -3.558130 0.617639 2.336098
H -5.081073 2.663714 -0.596439
H -4.912829 1.965642 1.012326
H -5.279414 -1.627410 -0.533037
H 6.425689 -0.342296 -0.003561
H 6.304578 2.727796 0.143709


%chk=000193359-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000193359

0 1
O 5.632754 -0.666284 -0.649698
O 5.719127 2.119769 0.417583
O -6.516789 0.657469 -1.299056
O 4.128051 2.162853 -1.279112
C 1.901855 -0.116687 0.308429
C 0.943977 -1.245071 -0.202321
C -0.490757 -1.158155 0.356731
C -1.097430 0.230365 -0.026715
C 3.217722 -0.564190 -0.426813
C 1.293100 1.240893 -0.125749
C -2.593622 0.430583 0.457390
C 1.751575 -2.550548 -0.000078
C -0.162017 1.400312 0.390706
C 3.236860 -2.123277 -0.252667
C -1.379232 -2.295997 -0.193084
C 2.098262 -0.154058 1.850021
C -3.424840 -0.791165 0.024145
C -2.837475 -2.161970 0.305610
C -3.161682 1.722087 -0.212097
C 4.534040 0.065336 0.032567
C -2.687309 0.555840 2.012232
C -4.698753 1.837290 -0.153919
C -4.663524 -0.677863 -0.556597
C -5.378910 0.600430 -0.737862
C 4.702053 1.536591 -0.367735
H 0.857547 -1.086036 -1.302502
H -0.457147 -1.257178 1.463067
H -1.141763 0.236211 -1.141454
H 3.095739 -0.322518 -1.502006
H 1.307091 1.305324 -1.232417
H 1.898827 2.091498 0.240225
H 1.430636 -3.351459 -0.689275
H 1.617941 -2.936889 1.029076
H -0.147237 1.493216 1.493690
H -0.562459 2.355579 0.003381
H 3.885774 -2.411977 0.594704
H 3.666050 -2.604148 -1.146301
H -0.976189 -3.280044 0.112544
H -1.363137 -2.268083 -1.302322
H 2.592049 -1.084185 2.184268
H 2.719002 0.698320 2.186353
H 1.138693 -0.081221 2.389087
H -2.843533 -2.333323 1.403843
H -3.478546 -2.945128 -0.138700
H -2.848157 1.730791 -1.275880
H -2.713083 2.613936 0.263009
H 4.659696 -0.019144 1.129769
H -2.232619 -0.308883 2.526904
H -2.173732 1.468573 2.362433
H -3.741165 0.617065 2.337571
H -5.059023 2.729112 -0.696716
H -5.042305 1.946639 0.895404
H -5.209591 -1.574967 -0.877256
H 6.496087 -0.377454 -0.254229
H 5.891418 3.048719 0.102521


