%chk=000216096.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216096

0 1
O -3.929045 1.555177 0.081765
O 3.861661 -0.603922 1.091848
N -1.784836 -0.354375 -0.025006
C -1.069887 -1.594499 -0.513707
C 0.298233 -1.215793 -1.135062
C 1.234420 -0.497289 -0.156874
C 2.507345 -0.000740 -0.851806
C -2.042987 0.602203 -1.154837
C -3.094896 -0.686351 0.630102
C 3.584407 0.464361 0.153876
C -0.868749 -2.581246 0.645497
C -2.693164 1.874199 -0.589716
C -3.731984 0.610942 1.154031
C 3.121717 1.605680 1.056639
C 4.889182 0.807151 -0.579147
H -1.671113 -2.108753 -1.312375
H 0.136703 -0.582305 -2.029534
H 0.780363 -2.139772 -1.508250
H 1.507853 -1.171313 0.680720
H 0.698428 0.351260 0.316475
H 2.265441 0.832111 -1.537685
H 2.921926 -0.801709 -1.492050
H -2.692188 0.168961 -1.945821
H -1.071346 0.862975 -1.628835
H -2.905934 -1.367355 1.486991
H -3.800347 -1.202971 -0.055260
H -1.800407 -3.078162 0.932270
H -0.474502 -2.071163 1.535602
H -0.150415 -3.363228 0.376416
H -2.024746 2.394873 0.118607
H -3.025178 2.563344 -1.384967
H -4.760043 0.451826 1.522209
H -3.110687 1.083049 1.935666
H 2.301769 1.274589 1.709264
H 2.774889 2.466981 0.480791
H 3.930326 1.933567 1.721378
H 5.210433 0.009231 -1.253896
H 5.701138 0.965162 0.142367
H 4.791605 1.723019 -1.169570
H 4.130516 -1.416812 0.633483


%chk=000216096-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000216096

0 1
O -4.033068 1.576133 0.067308
O 4.015558 -0.607083 1.149927
N -1.831625 -0.360291 -0.033345
C -1.100088 -1.580585 -0.513432
C 0.294492 -1.217039 -1.098257
C 1.237666 -0.482074 -0.119916
C 2.562050 -0.072403 -0.798047
C -2.057748 0.635309 -1.117189
C -3.136026 -0.679773 0.611251
C 3.658907 0.459370 0.167226
C -0.955036 -2.626526 0.617283
C -2.744074 1.894957 -0.564649
C -3.804877 0.597936 1.141861
C 3.169191 1.623711 1.044611
C 4.925078 0.856969 -0.625694
H -1.685056 -2.059238 -1.346043
H 0.174103 -0.611795 -2.019281
H 0.767434 -2.164878 -1.427922
H 1.468306 -1.128438 0.748230
H 0.712687 0.404927 0.280607
H 2.363672 0.701207 -1.568906
H 2.980515 -0.948359 -1.342141
H -2.685993 0.205522 -1.939287
H -1.089065 0.935464 -1.553780
H -2.970511 -1.359799 1.464200
H -3.832400 -1.186805 -0.105621
H -1.908669 -3.131111 0.849882
H -0.574500 -2.155744 1.540864
H -0.238501 -3.408134 0.307625
H -2.075505 2.384282 0.177270
H -2.979225 2.604172 -1.375830
H -4.801855 0.377175 1.558403
H -3.162656 1.050596 1.928636
H 2.359418 1.290426 1.713944
H 2.795527 2.455136 0.420154
H 3.997093 1.995669 1.672797
H 5.281038 0.018314 -1.255981
H 5.735072 1.135420 0.071008
H 4.725846 1.716428 -1.292084
H 4.388726 -1.376141 0.645918


