%chk=000206747.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000206747

0 1
O -0.051812 -1.002192 0.426065
O 0.468673 1.125180 0.983564
N -3.598536 0.056813 0.058885
C 2.707002 0.452226 -1.038977
C 2.205842 -0.419763 0.142814
C 4.142339 0.035169 -1.415809
C 3.152919 -0.318771 1.353152
C 5.088333 0.133730 -0.212723
C 4.581738 -0.713541 0.961855
C 1.774862 0.322813 -2.246708
C 0.828348 0.047554 0.570322
C -1.447428 -0.797493 0.800091
C -2.151018 -0.008070 -0.312632
C -4.490775 -0.040602 -1.142866
C -3.889000 1.291430 0.864261
C -4.484786 -1.470003 -1.686730
C -5.180736 1.099642 1.659993
H 2.718459 1.520344 -0.704194
H 2.145185 -1.487583 -0.190503
H 4.511087 0.676936 -2.237795
H 4.144674 -0.997613 -1.813284
H 2.790500 -0.969045 2.172021
H 3.141487 0.716272 1.752790
H 5.187635 1.190730 0.102431
H 6.103575 -0.194099 -0.504598
H 4.617017 -1.787333 0.694075
H 5.253592 -0.593726 1.832823
H 2.142399 0.909382 -3.096333
H 1.678879 -0.715700 -2.583214
H 0.765819 0.686361 -2.019108
H -1.814580 -1.835564 0.885155
H -1.489066 -0.288270 1.776996
H -1.670913 0.988214 -0.431617
H -2.010256 -0.536178 -1.280432
H -5.525160 0.222254 -0.823429
H -4.214218 0.677457 -1.944511
H -3.045428 1.455717 1.573070
H -3.954869 2.207619 0.238812
H -5.240912 -1.596774 -2.467701
H -4.699890 -2.192052 -0.887009
H -3.512553 -1.745901 -2.110404
H -5.322946 1.913397 2.378289
H -5.158321 0.154503 2.219727
H -6.062760 1.064032 1.010987


%chk=000206747-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000206747

0 1
O -0.055370 -1.227771 0.194421
O 0.398782 0.930026 0.959017
N -3.629134 0.003439 -0.071256
C 2.769140 0.582475 -0.968351
C 2.233883 -0.460013 0.064270
C 4.266312 0.309632 -1.265261
C 3.105491 -0.470944 1.356651
C 5.132473 0.293313 0.014838
C 4.591901 -0.736922 1.032002
C 1.937445 0.579130 -2.269999
C 0.797023 -0.145863 0.448016
C -1.489657 -1.035530 0.572912
C -2.266183 -0.324725 -0.552205
C -4.688254 -0.153674 -1.101532
C -3.679945 1.311451 0.641532
C -5.014464 -1.628524 -1.404109
C -4.801357 1.379254 1.695176
H 2.682342 1.582314 -0.493489
H 2.255024 -1.466151 -0.397427
H 4.639810 1.078169 -1.970660
H 4.357694 -0.668577 -1.783889
H 2.722848 -1.238751 2.056625
H 2.999311 0.510857 1.858478
H 5.123868 1.301924 0.476804
H 6.185387 0.065106 -0.240540
H 4.702371 -1.758668 0.613431
H 5.186807 -0.706693 1.965331
H 2.333100 1.321682 -2.987705
H 1.970671 -0.414341 -2.757220
H 0.877184 0.829207 -2.080048
H -1.873926 -2.052630 0.740808
H -1.534628 -0.449368 1.506932
H -1.701514 0.581848 -0.871176
H -2.329794 -0.995365 -1.427045
H -5.601554 0.335828 -0.717253
H -4.420154 0.377689 -2.049931
H -2.706126 1.459500 1.144053
H -3.787102 2.158128 -0.082523
H -5.816285 -1.700455 -2.162673
H -5.348525 -2.139556 -0.484409
H -4.135244 -2.172421 -1.795428
H -4.780382 2.354199 2.217089
H -4.671648 0.575281 2.440639
H -5.803221 1.263995 1.242703


