%chk=000245452.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245452

0 1
O 0.866806 -1.972291 -0.422878
O -3.848302 -0.399107 -0.615295
O -2.684758 1.266826 0.382458
N 2.239190 -0.210455 -0.877101
C 4.329844 0.705447 0.966001
C 4.035006 -0.787882 0.771932
C 3.088547 1.559517 0.671781
C 3.434781 -1.067272 -0.615851
C 2.526456 1.241133 -0.724977
C 0.975055 -0.766887 -0.597146
C -0.226453 0.160123 -0.637428
C -1.524996 -0.644462 -0.626648
C -2.685571 0.211282 -0.208588
C -5.121043 0.228824 -0.259236
C -5.444782 -0.053587 1.192770
H 4.676188 0.889174 2.000694
H 5.163409 1.013295 0.305561
H 4.958830 -1.381287 0.903206
H 3.334807 -1.139953 1.555733
H 2.315196 1.376686 1.442819
H 3.338604 2.634546 0.738917
H 4.177085 -0.864136 -1.417215
H 3.137706 -2.139788 -0.702524
H 1.621841 1.847481 -0.933211
H 3.271524 1.515512 -1.508132
H -0.200240 0.846046 0.241650
H -0.191970 0.815888 -1.532021
H -1.435742 -1.518658 0.067772
H -1.714257 -1.116508 -1.616070
H -5.052661 1.309152 -0.478144
H -5.804757 -0.276192 -0.965955
H -6.461437 0.267525 1.447607
H -5.363905 -1.123942 1.422957
H -4.752801 0.476153 1.864762


%chk=000245452-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245452

0 1
O 0.775063 -2.067003 -0.285506
O -3.965897 -0.344938 -0.728515
O -2.783825 1.208282 0.550621
N 2.195363 -0.232997 -0.456042
C 4.701208 0.779643 0.670711
C 4.343760 -0.725234 0.719211
C 3.416127 1.640069 0.650318
C 3.395111 -1.103382 -0.440525
C 2.483400 1.216185 -0.511475
C 0.929952 -0.806255 -0.396411
C -0.280908 0.140490 -0.466846
C -1.595047 -0.652455 -0.570074
C -2.796521 0.185890 -0.177789
C -5.248790 0.330940 -0.358897
C -5.789717 -0.217190 0.964584
H 5.335259 1.056616 1.533613
H 5.294451 0.986448 -0.244566
H 5.258426 -1.345048 0.655537
H 3.850357 -0.963059 1.681589
H 2.874109 1.521235 1.608913
H 3.664996 2.713086 0.540193
H 3.927976 -0.988172 -1.408666
H 3.041836 -2.143594 -0.357818
H 1.545518 1.789630 -0.473652
H 2.979851 1.447690 -1.479031
H -0.319549 0.779553 0.437110
H -0.185315 0.827652 -1.328676
H -1.536948 -1.531558 0.101297
H -1.749317 -1.069312 -1.579090
H -5.068144 1.418749 -0.298767
H -5.914949 0.100113 -1.205595
H -6.778985 0.229469 1.176931
H -5.908776 -1.313358 0.917215
H -5.112870 0.034018 1.798300


