%chk=000245416.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245416

0 1
O -2.992273 -1.971023 0.858132
O 3.424173 -0.290916 0.182650
O 1.571632 0.729083 0.966716
N -2.555088 0.176496 0.209962
C -1.616013 1.338296 0.103990
C -3.946205 0.362062 -0.332758
C -2.192830 -1.045508 0.782686
C -0.776292 -1.210396 1.312053
C -2.173617 2.550482 0.860827
C -1.341645 1.670686 -1.368365
C -4.980062 0.211715 0.788774
C -4.208774 -0.627916 -1.473556
C 0.135680 -1.775100 0.218678
C 1.614849 -1.707262 0.611446
C 2.125368 -0.293499 0.627312
C 4.124319 1.000545 0.151911
C 5.503738 0.642262 -0.391432
C 6.385075 1.881405 -0.489786
H -0.633802 1.050068 0.589126
H -4.006906 1.406440 -0.741539
H -0.367327 -0.248038 1.700648
H -0.813557 -1.897604 2.182450
H -0.026835 -1.229999 -0.734452
H -0.142486 -2.830756 0.013412
H -3.082212 2.952945 0.400213
H -2.422673 2.291712 1.896935
H -1.434421 3.359120 0.891196
H -2.230675 2.049165 -1.884395
H -0.999110 0.787840 -1.919622
H -0.562495 2.437003 -1.450893
H -4.957743 -0.808757 1.207099
H -4.787089 0.903339 1.613954
H -5.993771 0.391045 0.420654
H -4.169914 -1.667062 -1.105731
H -3.464722 -0.536642 -2.269676
H -5.199343 -0.474574 -1.910427
H 2.227262 -2.327161 -0.081033
H 1.774760 -2.154006 1.618256
H 3.553206 1.679951 -0.501997
H 4.142832 1.399360 1.179565
H 5.400444 0.156519 -1.383438
H 5.975359 -0.121733 0.260291
H 5.957488 2.635499 -1.161524
H 6.534179 2.356043 0.487644
H 7.378115 1.625673 -0.880255


%chk=000245416-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245416

0 1
O -2.824596 -1.946981 1.179309
O 3.663838 -0.354457 0.092424
O 1.721641 0.843698 -0.360099
N -2.652425 0.157529 0.181954
C -1.837274 1.305431 -0.329620
C -4.146317 0.263670 0.048410
C -2.101730 -0.971575 0.778806
C -0.576005 -1.060605 0.939343
C -2.087860 2.590863 0.496262
C -2.065123 1.543170 -1.843074
C -4.853890 0.271767 1.424363
C -4.721682 -0.815993 -0.899176
C 0.121011 -1.571795 -0.350456
C 1.655064 -1.634021 -0.214097
C 2.300084 -0.255387 -0.171748
C 4.431134 0.929842 0.132726
C 5.889984 0.573592 0.420084
C 6.774771 1.839602 0.468526
H -0.775467 1.038973 -0.211139
H -4.323829 1.249375 -0.421265
H -0.130121 -0.100823 1.254061
H -0.411429 -1.791822 1.750453
H -0.134663 -0.919251 -1.205654
H -0.264965 -2.581342 -0.583839
H -3.130508 2.945923 0.399166
H -1.881583 2.414417 1.566974
H -1.421926 3.399264 0.143636
H -3.093466 1.883153 -2.063889
H -1.875351 0.619977 -2.419255
H -1.368821 2.322528 -2.201730
H -4.719485 -0.696653 1.931072
H -4.447911 1.070832 2.070845
H -5.935755 0.455033 1.285023
H -4.562148 -1.819141 -0.473634
H -4.238097 -0.768192 -1.891710
H -5.807365 -0.653951 -1.035335
H 2.103159 -2.182182 -1.066251
H 1.958505 -2.190119 0.693272
H 4.308536 1.441846 -0.839965
H 3.993613 1.573787 0.918240
H 6.254534 -0.116897 -0.363133
H 5.948501 0.029895 1.381267
H 6.749980 2.385016 -0.493279
H 6.440249 2.535322 1.260593
H 7.825786 1.573485 0.677242


