%chk=000268374.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000268374

0 1
O 10.010710 0.666882 0.337595
O -10.010744 -0.668420 -0.343410
O 9.812007 -1.318705 -0.665033
O -9.812164 1.317744 0.658108
N 1.421559 -0.046228 -0.159118
N -1.421562 0.045507 0.152684
N 2.756351 -0.225653 -0.047482
N -2.756406 0.224923 0.040998
C 0.668824 -1.267344 0.294058
C 0.750784 1.221033 0.290050
C -0.750839 -1.221739 -0.296653
C -0.668868 1.266586 -0.300692
C 3.611021 0.761418 0.036043
C -3.611028 -0.762201 -0.042193
C 5.053064 0.454019 -0.030874
C -5.053104 -0.454890 0.024649
C 5.964671 1.394409 0.487603
C -5.964670 -1.395841 -0.492880
C 5.532236 -0.738042 -0.603499
C -5.532331 0.737628 0.596266
C 7.334237 1.143710 0.436561
C -7.334259 -1.145244 -0.441896
C 6.901686 -0.989090 -0.655491
C -6.901805 0.988575 0.648204
C 7.807080 -0.048124 -0.135871
C -7.807154 0.047049 0.129530
C 9.248483 -0.348296 -0.209839
C -9.248590 0.347129 0.203420
H 1.200911 -2.177290 -0.069073
H 0.625643 -1.330830 1.404723
H 0.711471 1.292825 1.400308
H 1.325321 2.098519 -0.079951
H -0.711570 -1.293428 -1.406910
H -1.325371 -2.099257 0.073262
H -1.200957 2.176578 0.062300
H -0.625684 1.329933 -1.411359
H 3.364841 1.824133 0.154584
H -3.364798 -1.824951 -0.160437
H 5.603372 2.318781 0.935014
H -5.603336 -2.320579 -0.939506
H 4.825398 -1.467622 -1.004357
H -4.825526 1.467642 0.996398
H 8.048113 1.868199 0.839122
H -8.048104 -1.870167 -0.843727
H 7.281025 -1.914576 -1.099001
H -7.281185 1.914412 1.090945
H 10.984183 0.468459 0.290103
H -10.984236 -0.470077 -0.295972


%chk=000268374-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000268374

0 1
O 10.140664 0.809450 0.094628
O -10.140720 -0.810383 -0.100952
O 9.865747 -1.387417 -0.607889
O -9.865795 1.386483 0.601563
N 1.419026 -0.072100 -0.033402
N -1.419080 0.071157 0.027020
N 2.774418 -0.288400 -0.060463
N -2.774472 0.287458 0.054086
C 0.627016 -1.311657 0.078826
C 0.773758 1.138008 0.529052
C -0.773812 -1.138951 -0.535433
C -0.627070 1.310713 -0.085207
C 3.649415 0.669575 0.207756
C -3.649471 -0.670514 -0.214133
C 5.086888 0.406016 0.087025
C -5.086943 -0.406953 -0.093393
C 6.011996 1.444830 0.399163
C -6.012055 -1.445764 -0.405529
C 5.596825 -0.860008 -0.333390
C -5.596876 0.859070 0.327030
C 7.398270 1.233910 0.298203
C -7.398328 -1.234842 -0.304561
C 6.978563 -1.072431 -0.433932
C -6.978613 1.071495 0.427580
C 7.894527 -0.028558 -0.119961
C -7.894581 0.027625 0.113610
C 9.344510 -0.302737 -0.244627
C -9.344563 0.301807 0.238283
H 1.183776 -2.106076 -0.442925
H 0.520263 -1.603333 1.146826
H 0.708726 1.063384 1.637115
H 1.372182 2.029556 0.274951
H -0.708780 -1.064328 -1.643496
H -1.372236 -2.030498 -0.281331
H -1.183830 2.105133 0.436543
H -0.520315 1.602390 -1.153208
H 3.365006 1.688981 0.521430
H -3.365066 -1.689921 -0.527809
H 5.634355 2.422878 0.722364
H -5.634418 -2.423812 -0.728736
H 4.885386 -1.654898 -0.575367
H -4.885434 1.653958 0.569005
H 8.106044 2.032289 0.537485
H -8.106105 -2.033218 -0.543842
H 7.380705 -2.038875 -0.755762
H -7.380751 2.037940 0.749415
H 11.095563 0.553010 -0.011497
H -11.095618 -0.553945 0.005189


