%chk=000257417.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257417

0 1
O 3.595253 0.479324 1.466430
O 4.888918 0.269101 -0.429595
O -6.008450 1.215937 0.655025
C -0.814656 0.492144 0.133827
C -1.631498 -0.796339 -0.165676
C 0.587444 0.412130 -0.568305
C -3.019758 -0.641366 0.464994
C -3.775502 0.568989 -0.159687
C -1.577899 1.780740 -0.250853
C 1.286828 -0.891895 -0.174772
C -3.029559 1.840132 0.256821
C 2.806498 -1.003015 -0.321790
C 1.407894 1.643598 -0.108179
C -0.897807 -2.018707 0.410445
C -4.029125 -1.803636 0.384762
C 3.514565 0.344752 0.027406
C 2.863033 1.592949 -0.563336
C 0.583861 -1.966055 0.214246
C -5.189230 0.364845 0.423796
C 0.421433 0.425660 -2.100875
C -5.390791 -1.130951 0.655992
C -3.951239 0.502281 -1.683435
C 3.144227 -1.361954 -1.780795
C 3.406044 -2.073188 0.610154
C 4.913106 0.928004 1.848050
C 5.780897 0.760306 0.593937
H -0.630660 0.523688 1.236716
H -1.725200 -0.923604 -1.270249
H -2.865005 -0.421939 1.555449
H -1.579409 1.894604 -1.354184
H -1.030268 2.659397 0.141893
H -3.051207 1.956905 1.356698
H -3.536769 2.738100 -0.144808
H 1.385736 1.701717 1.001647
H 0.936935 2.573210 -0.477712
H -1.305499 -2.943154 -0.046040
H -1.099254 -2.110683 1.500107
H -3.807422 -2.590504 1.121927
H -4.010905 -2.288398 -0.605390
H 2.949699 1.576688 -1.666262
H 3.405913 2.497659 -0.232202
H 1.077537 -2.912303 0.449032
H 1.393271 0.324455 -2.606971
H -0.205635 -0.409187 -2.435519
H -0.041099 1.354492 -2.448481
H -5.741617 -1.310328 1.687814
H -6.188977 -1.518468 0.000375
H -2.983973 0.571548 -2.196949
H -4.422222 -0.432213 -2.006022
H -4.570954 1.333659 -2.041652
H 4.231424 -1.368698 -1.939528
H 2.758399 -2.352332 -2.040772
H 2.709989 -0.640879 -2.488287
H 3.034212 -3.075477 0.380444
H 4.498993 -2.091785 0.515657
H 3.173648 -1.846829 1.659545
H 5.201169 0.278022 2.690181
H 4.816312 1.972564 2.184818
H 6.209804 1.703415 0.219332
H 6.565046 -0.008629 0.685606


%chk=000257417-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000257417

0 1
O 3.410506 0.525278 1.493707
O 5.013672 0.350910 -0.244988
O -5.972322 1.273640 0.964945
C -0.789218 0.470082 0.000108
C -1.637605 -0.818941 -0.244144
C 0.602800 0.387233 -0.751742
C -3.013056 -0.667935 0.428807
C -3.794653 0.588314 -0.051196
C -1.570873 1.789088 -0.286124
C 1.342601 -0.898982 -0.281877
C -2.993166 1.844228 0.340622
C 2.893461 -1.001836 -0.387612
C 1.422585 1.663397 -0.376960
C -0.877686 -2.043749 0.315562
C -4.052982 -1.818618 0.354152
C 3.541911 0.360206 0.024867
C 2.926603 1.567011 -0.690656
C 0.627312 -1.964504 0.174936
C -5.153626 0.378921 0.644085
C 0.393331 0.347962 -2.300365
C -5.351194 -1.138736 0.878321
C -4.122214 0.581432 -1.579189
C 3.325020 -1.338069 -1.853737
C 3.487597 -2.119325 0.511586
C 4.650218 1.185383 1.946157
C 5.720139 0.548771 1.039975
H -0.543722 0.474309 1.087014
H -1.782798 -0.955169 -1.334710
H -2.810555 -0.501040 1.514096
H -1.659452 1.953787 -1.376897
H -0.991401 2.645517 0.105136
H -2.913974 1.891921 1.445504
H -3.514514 2.765077 0.017785
H 1.313860 1.848901 0.709604
H 0.999764 2.538022 -0.906031
H -1.247374 -2.974890 -0.162121
H -1.116594 -2.156367 1.397580
H -3.763575 -2.692666 0.962620
H -4.180520 -2.170734 -0.687099
H 3.114833 1.483511 -1.775755
H 3.443978 2.484431 -0.352939
H 1.161232 -2.861070 0.512623
H 1.340713 0.509466 -2.840933
H -0.010180 -0.624854 -2.630692
H -0.301717 1.143198 -2.626633
H -5.484649 -1.297924 1.966164
H -6.282395 -1.485412 0.394960
H -3.203895 0.602824 -2.189076
H -4.701739 -0.309735 -1.880784
H -4.723238 1.474573 -1.827835
H 4.421719 -1.453108 -1.898523
H 2.847386 -2.285632 -2.159707
H 3.038879 -0.566480 -2.585770
H 3.201487 -3.119133 0.139677
H 4.589912 -2.062992 0.474314
H 3.160879 -2.014441 1.558196
H 4.768063 0.955084 3.016457
H 4.589733 2.282534 1.798969
H 6.587847 1.202502 0.850794
H 6.059345 -0.426671 1.439575


