%chk=000227533.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227533

0 1
O 1.664202 3.322015 -0.039789
N 4.251217 -0.667401 0.243812
N -0.516092 -0.820919 -0.217612
N 3.791518 -2.004403 -0.056214
N 3.055771 1.477567 0.041286
N 0.571564 1.295251 -0.126665
C 1.909367 -0.730944 -0.024741
C 3.084439 0.182126 0.062210
C 0.622295 -0.030770 -0.121781
C -1.877823 -0.349427 -0.231092
C 2.379126 -2.014114 -0.026673
C -2.880096 -1.158375 0.362418
C -2.223962 0.860258 -0.853585
C -4.212319 -0.737363 0.295433
C -4.562132 0.470697 -0.327615
C 5.475387 -0.289233 -0.508036
C -3.557675 1.265009 -0.898243
C -2.547321 -2.441083 1.057610
C 1.738409 2.124056 -0.036656
C -5.992694 0.896792 -0.391130
H 1.841018 -2.953045 -0.072031
H -0.398834 -1.829162 -0.158408
H 4.323654 -2.724604 0.440908
H -1.450712 1.501676 -1.291720
H -4.990994 -1.353279 0.741795
H 5.681606 0.782689 -0.291640
H 5.393080 -0.402934 -1.601273
H 6.330612 -0.881559 -0.145352
H -3.811433 2.209708 -1.377301
H -1.777884 -2.293963 1.828810
H -3.420702 -2.865937 1.574507
H -2.200688 -3.207937 0.353150
H -6.564962 0.568081 0.486443
H -6.099042 1.988841 -0.449510
H -6.485299 0.475384 -1.279816


%chk=000227533-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000227533

0 1
O 1.815260 3.278108 -1.082273
N 4.207950 -0.674141 -0.012359
N -0.532963 -0.653524 0.059129
N 3.737680 -1.983785 0.230418
N 3.155388 1.423100 -0.580817
N 0.652676 1.336130 -0.510077
C 1.910843 -0.667262 0.025014
C 3.093039 0.153828 -0.214153
C 0.645484 0.051890 -0.156088
C -1.889774 -0.229994 -0.036450
C 2.350772 -1.954987 0.317308
C -2.899811 -1.202925 0.254651
C -2.260431 1.091654 -0.397725
C -4.254182 -0.812485 0.170239
C -4.647887 0.500538 -0.193661
C 5.582105 -0.381367 -0.407530
C -3.624190 1.439301 -0.469858
C -2.536666 -2.625864 0.652046
C 1.879674 2.067597 -0.739763
C -6.115665 0.874984 -0.305308
H 1.815936 -2.867759 0.575885
H -0.409858 -1.629722 0.330046
H 4.359969 -2.647182 0.693763
H -1.468803 1.814224 -0.608071
H -5.028039 -1.557822 0.396151
H 5.589936 0.695058 -0.650181
H 5.879671 -0.954812 -1.304995
H 6.292636 -0.571938 0.416719
H -3.891725 2.465968 -0.747419
H -1.934918 -2.662254 1.583922
H -3.446681 -3.219631 0.838123
H -1.968851 -3.152904 -0.142801
H -6.738578 0.296011 0.399918
H -6.274072 1.947939 -0.098094
H -6.503326 0.677731 -1.324210


