%chk=000229671.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229671

0 1
O -4.432007 -0.776843 1.313210
O -5.024774 -0.101872 -0.651793
N -4.186055 -0.320333 0.205653
C 3.930042 0.084607 -0.099895
C 2.417615 -0.060307 0.094758
C 4.251327 0.356006 -1.583172
C 4.582823 -1.238295 0.346777
C 4.505755 1.245799 0.732450
C 1.658221 -0.780541 -0.844059
C 1.763446 0.470182 1.216456
C -0.361055 -0.400146 0.438294
C 0.283007 -0.946863 -0.682168
C 0.387624 0.303614 1.391775
C -1.807103 -0.588182 0.641318
C -2.758944 -0.020347 -0.115122
C -2.559310 0.925679 -1.261137
C -2.724913 2.376597 -0.814362
H 5.322986 0.527575 -1.730930
H 3.970958 -0.484766 -2.226216
H 3.722891 1.243462 -1.947934
H 4.218637 -2.087656 -0.240653
H 5.671147 -1.203192 0.233451
H 4.367608 -1.454441 1.398959
H 5.579975 1.364416 0.551602
H 4.026521 2.197367 0.478067
H 4.381194 1.081640 1.808033
H 2.146843 -1.219604 -1.714810
H 2.324669 1.018287 1.973737
H -0.288506 -1.508399 -1.419773
H -0.102409 0.724291 2.269046
H -2.070933 -1.243782 1.487619
H -3.283153 0.696589 -2.077421
H -1.549031 0.777260 -1.700137
H -2.031985 2.632750 -0.003814
H -2.530662 3.066658 -1.644394
H -3.743752 2.577289 -0.458713


%chk=000229671-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000229671

0 1
O -4.203337 -0.024313 2.017382
O -5.207432 0.074323 -0.023450
N -4.150407 0.056067 0.726101
C 4.104257 0.035017 -0.008123
C 2.576914 0.033678 0.224232
C 4.438254 0.964794 -1.214660
C 4.576910 -1.416156 -0.330408
C 4.889843 0.540874 1.228926
C 1.700607 -0.392240 -0.814909
C 1.979962 0.426927 1.450079
C -0.296035 0.016424 0.569250
C 0.304733 -0.399849 -0.656675
C 0.582585 0.402966 1.623019
C -1.734588 0.029864 0.860990
C -2.824029 0.121771 0.032067
C -2.920297 0.368465 -1.455879
C -3.356621 1.822942 -1.790251
H 5.527895 0.961291 -1.404313
H 3.933145 0.634660 -2.139862
H 4.125462 2.004869 -1.009658
H 4.081000 -1.819735 -1.231375
H 5.667930 -1.426143 -0.511144
H 4.358916 -2.098692 0.511131
H 5.972467 0.532572 1.007181
H 4.612185 1.577307 1.496082
H 4.726539 -0.103835 2.112279
H 2.119854 -0.734530 -1.767863
H 2.606937 0.748709 2.286091
H -0.314642 -0.777026 -1.474938
H 0.153686 0.702112 2.587484
H -1.990132 -0.020798 1.929689
H -3.646805 -0.334847 -1.900588
H -1.941139 0.177302 -1.918702
H -2.646406 2.555948 -1.368061
H -3.386672 1.963328 -2.885471
H -4.362843 2.030452 -1.390954


