%chk=000290829.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000290829

0 1
O 3.085389 1.345918 1.305211
O -2.069846 1.631880 -1.604081
O 0.288341 0.003405 2.247732
O -0.288225 -0.623172 0.266353
N -5.058622 -0.985767 0.669750
N -2.435103 1.720686 0.656396
N 0.210728 0.172755 1.035945
C -5.311318 -1.318454 -0.773678
C -5.244610 -2.281985 1.405254
C -5.011463 -2.819485 -0.983753
C -4.959009 -3.440621 0.424060
C -3.693304 -0.410249 0.882886
C -3.780287 1.101093 0.574661
C -1.637241 1.814916 -0.482447
C -0.215379 2.263579 -0.216142
C 0.709389 1.455575 0.504842
C 2.018652 1.919190 0.684456
C 0.162058 3.492617 -0.718417
C 2.406311 3.210428 0.167783
C 1.477788 3.967244 -0.519051
C 3.798430 3.689917 0.399536
C 3.108804 -0.022679 1.801580
C 3.066767 -1.034903 0.696260
C 2.444165 -2.272717 0.912652
C 3.678576 -0.763692 -0.535575
C 2.436850 -3.233426 -0.102080
C 3.661984 -1.725250 -1.549056
C 3.043639 -2.961095 -1.332797
H -4.721877 -0.679169 -1.457378
H -6.382816 -1.099344 -0.965390
H -6.304359 -2.302084 1.738915
H -4.619776 -2.340443 2.313616
H -4.053446 -2.959120 -1.512329
H -5.784366 -3.294765 -1.607782
H -5.698201 -4.248941 0.537417
H -3.971026 -3.889518 0.619039
H -3.386505 -0.563397 1.939022
H -2.904085 -0.888004 0.258951
H -4.460379 1.610506 1.290925
H -4.201383 1.268650 -0.445990
H -2.052114 1.856220 1.586971
H -0.548958 4.100862 -1.283004
H 1.753561 4.944174 -0.922660
H 4.067805 4.540975 -0.238180
H 3.936181 4.000977 1.447594
H 4.535060 2.890376 0.214582
H 4.104922 -0.005623 2.299158
H 2.323503 -0.146674 2.573482
H 1.954383 -2.484650 1.863299
H 4.157621 0.201472 -0.699728
H 1.948052 -4.192662 0.064073
H 4.128802 -1.510273 -2.509199
H 3.029140 -3.708953 -2.124281


%chk=000290829-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000290829

0 1
O 2.720753 1.211045 1.767813
O -2.399989 1.336681 -1.514712
O -0.139769 0.671577 2.912025
O -0.484822 -0.781990 1.181932
N -5.468855 -0.892183 0.894782
N -2.596147 1.572833 0.796140
N -0.079696 0.350564 1.659987
C -5.785093 -1.188666 -0.537533
C -5.812377 -2.158314 1.601953
C -5.480344 -2.717492 -0.765870
C -5.322371 -3.312270 0.671174
C -4.078462 -0.418605 1.106871
C -3.992809 1.105507 0.835726
C -1.871940 1.565229 -0.381633
C -0.401392 1.905689 -0.262995
C 0.467117 1.350407 0.712635
C 1.840071 1.704416 0.795715
C 0.141956 2.835313 -1.175599
C 2.363533 2.670340 -0.112358
C 1.496332 3.218109 -1.086423
C 3.821285 3.066765 -0.028061
C 2.942961 -0.280885 1.895452
C 3.481725 -0.890819 0.621474
C 2.616158 -1.561142 -0.280734
C 4.861814 -0.784687 0.306701
C 3.123445 -2.112625 -1.479311
C 5.369749 -1.337342 -0.888525
C 4.499252 -2.002463 -1.785335
H -5.197881 -0.535812 -1.205464
H -6.857270 -0.983947 -0.715323
H -6.913412 -2.208041 1.714411
H -5.366028 -2.177395 2.610489
H -4.562107 -2.860249 -1.360996
H -6.308322 -3.199723 -1.315225
H -5.903831 -4.240109 0.813161
H -4.262312 -3.543088 0.882120
H -3.790616 -0.623503 2.154613
H -3.329959 -0.932204 0.457852
H -4.549578 1.659280 1.610716
H -4.446807 1.332715 -0.143449
H -2.139109 1.826740 1.674823
H -0.514918 3.249808 -1.945589
H 1.897245 3.951143 -1.794897
H 4.071800 3.811644 -0.801625
H 4.061295 3.489849 0.963750
H 4.475480 2.186295 -0.160272
H 3.673987 -0.317021 2.718199
H 2.012766 -0.773123 2.225442
H 1.548374 -1.652599 -0.046457
H 5.535437 -0.270964 1.004117
H 2.447011 -2.627288 -2.170349
H 6.437883 -1.256967 -1.119114
H 4.891990 -2.434133 -2.712823


