%chk=000256139.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000256139

0 1
O 6.048241 1.411651 0.379205
O -4.746926 -0.310652 0.436572
C 3.650373 0.701386 0.126291
C 3.082736 -0.687085 -0.313752
C 1.620306 -0.827095 0.121711
C 0.803354 0.258034 -0.641676
C 5.148538 0.530312 -0.286918
C 2.876449 1.787608 -0.637900
C 4.132346 -1.693194 0.190155
C 1.367125 1.670201 -0.358765
C 5.479097 -0.958326 0.004343
C 1.034779 -2.210191 -0.194247
C 3.557320 0.953206 1.637855
C -0.673167 0.142437 -0.327376
C -0.391222 -2.310667 0.357152
C -1.228530 -1.083561 0.111987
C -1.524410 1.234645 -0.530948
C -2.600990 -1.183423 0.355604
C -2.900605 1.158032 -0.293279
C -3.422210 -0.060024 0.152757
C -5.702682 0.780922 0.258741
C -7.010300 0.164994 0.650833
C -8.160571 0.832021 0.632221
H 3.102758 -0.732274 -1.434217
H 1.532829 -0.645558 1.219542
H 0.911806 0.062080 -1.741565
H 5.322595 0.798762 -1.350531
H 3.068319 1.706718 -1.723806
H 3.236535 2.791980 -0.345840
H 4.101486 -2.635719 -0.377514
H 3.963433 -1.959089 1.246479
H 1.160785 1.943011 0.694825
H 0.828684 2.415205 -0.976127
H 6.114825 -1.046078 0.899880
H 6.063023 -1.393858 -0.821810
H 1.664061 -3.006446 0.244223
H 1.035250 -2.389662 -1.286278
H 2.512604 0.989593 1.972833
H 4.049923 0.165387 2.216108
H 4.012936 1.914742 1.901617
H -0.355929 -2.494547 1.453510
H -0.892582 -3.201308 -0.076005
H 6.004319 1.305772 1.349611
H -1.113622 2.181315 -0.888988
H -3.053022 -2.111127 0.697832
H -3.525431 2.026492 -0.458336
H -5.410433 1.616533 0.920890
H -5.682223 1.097912 -0.800133
H -6.934687 -0.884694 0.954473
H -9.103489 0.384780 0.915831
H -8.258905 1.866350 0.336726


%chk=000256139-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000256139

0 1
O 6.164596 1.468890 0.072636
O -4.872189 -0.318462 0.509484
C 3.715778 0.691771 0.125398
C 3.098637 -0.674592 -0.309829
C 1.631072 -0.824999 0.124455
C 0.798982 0.325409 -0.527442
C 5.171790 0.499239 -0.406273
C 2.907649 1.827381 -0.541936
C 4.152077 -1.726099 0.130880
C 1.395304 1.727313 -0.202360
C 5.521122 -0.988656 -0.059642
C 1.005888 -2.183571 -0.258114
C 3.759879 0.890582 1.663881
C -0.699686 0.188846 -0.208649
C -0.397722 -2.315856 0.364759
C -1.262007 -1.070659 0.171864
C -1.580568 1.289502 -0.342534
C -2.650532 -1.180228 0.398946
C -2.970820 1.186431 -0.115136
C -3.509034 -0.067296 0.260163
C -5.801300 0.824645 0.393673
C -7.166938 0.332335 0.791480
C -8.291506 0.540997 0.064885
H 3.100250 -0.668101 -1.425827
H 1.570065 -0.728672 1.230366
H 0.913449 0.185830 -1.629034
H 5.179760 0.657914 -1.500452
H 3.035215 1.758964 -1.643121
H 3.298051 2.817680 -0.236840
H 4.093579 -2.651465 -0.468563
H 3.997448 -2.014645 1.188284
H 1.221188 1.959035 0.866901
H 0.861455 2.506614 -0.778321
H 6.129018 -1.023338 0.865850
H 6.134565 -1.443995 -0.856086
H 1.645450 -3.017566 0.088579
H 0.943311 -2.258073 -1.363514
H 2.753409 0.889652 2.114475
H 4.343264 0.101151 2.174221
H 4.220400 1.868170 1.900819
H -0.288304 -2.504203 1.453610
H -0.924323 -3.198345 -0.046595
H 6.339131 1.292056 1.032029
H -1.182966 2.265919 -0.638202
H -3.091618 -2.141710 0.685817
H -3.604529 2.069461 -0.239536
H -5.461607 1.631829 1.079359
H -5.801819 1.218107 -0.643069
H -7.211237 -0.205174 1.748272
H -9.270574 0.196622 0.414860
H -8.267605 1.060863 -0.901074


