%chk=000228631.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000228631

0 1
O 2.175899 -2.561749 0.536506
O 3.820632 1.677680 -0.280050
N -2.939251 -0.650356 -0.421103
N -0.643680 -1.382619 0.023018
N -0.897693 0.846889 -0.488226
N 1.537889 1.427310 -0.420866
N 2.998682 -0.447503 0.133503
C -3.692906 0.354947 -1.248790
C -3.672377 -0.748356 0.892809
C -4.437197 1.288360 -0.274825
C -4.476940 0.554545 1.078697
C -1.548083 -0.361687 -0.271166
C 0.640750 -0.804913 0.015813
C 0.447811 0.565571 -0.316851
C 1.928419 -1.403412 0.258221
C -0.922729 -2.785766 0.333845
C 2.860864 0.934314 -0.194387
C 1.332293 2.854089 -0.768045
C 4.394994 -0.916019 0.354184
H -4.401780 -0.232639 -1.871261
H -3.027488 0.912612 -1.937526
H -2.989713 -0.939318 1.740592
H -4.348236 -1.626269 0.803438
H -5.449143 1.524876 -0.640107
H -3.901790 2.251191 -0.178744
H -4.036669 1.181007 1.874124
H -5.512732 0.338160 1.388364
H -1.675369 -3.193532 -0.367205
H 0.008137 -3.390805 0.249562
H -1.300779 -2.899381 1.365355
H 2.303789 3.384339 -0.790108
H 0.676101 3.336979 -0.022305
H 0.854137 2.940098 -1.759914
H 4.395005 -1.993984 0.603798
H 4.861603 -0.356014 1.182832
H 5.001550 -0.759044 -0.554381


%chk=000228631-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000228631

0 1
O 2.150979 -2.476141 0.950761
O 4.064345 1.293426 -1.150170
N -2.771211 0.114656 0.300436
N -0.598544 -1.014036 0.564869
N -0.686295 1.050804 -0.456355
N 1.733814 1.287821 -0.862591
N 3.082776 -0.561630 -0.104126
C -3.468429 1.385686 -0.040898
C -3.707213 -1.045486 0.325460
C -4.942861 1.059325 0.270164
C -5.060239 -0.435065 -0.126690
C -1.410740 0.039053 0.133575
C 0.728796 -0.649573 0.220127
C 0.621484 0.610685 -0.386360
C 1.971178 -1.334804 0.406714
C -0.939184 -2.151291 1.438982
C 3.021062 0.710296 -0.731367
C 1.587833 2.605119 -1.508488
C 4.438602 -1.140945 0.024284
H -3.316342 1.637778 -1.109433
H -3.058398 2.216496 0.557147
H -3.785561 -1.472908 1.343459
H -3.367697 -1.844297 -0.360715
H -5.637943 1.705573 -0.291198
H -5.144440 1.188623 1.349231
H -5.918800 -0.942216 0.344260
H -5.168153 -0.524990 -1.223031
H -1.634802 -2.849772 0.945644
H -0.002265 -2.688281 1.657629
H -1.387969 -1.792343 2.382721
H 2.593870 2.949295 -1.789191
H 1.119689 3.319117 -0.810204
H 0.949477 2.520048 -2.404145
H 4.328767 -2.119396 0.514595
H 5.080566 -0.475741 0.625090
H 4.897848 -1.255281 -0.971385


