%chk=000268986.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000268986

0 1
O 2.743899 0.906678 0.046682
O 2.900510 -1.412726 -0.310412
N -2.792440 0.907167 -0.024664
C 0.712582 -0.416693 0.037045
C -0.715548 -0.418118 0.030821
C 1.373675 0.800245 0.017893
C 1.513335 -1.682818 0.024579
C -1.405993 0.828776 -0.018727
C 0.693356 2.058121 -0.048079
C -0.672500 2.066923 -0.067944
C -1.507980 -1.609304 0.072730
C 3.455995 -0.319002 0.385638
C -2.877000 -1.518581 0.065393
C -3.489973 -0.223608 0.015689
H 1.484408 -2.211590 0.994447
H 1.223208 -2.363237 -0.801590
H 1.289851 2.969515 -0.083340
H -1.242467 2.998667 -0.118770
H -1.013657 -2.578887 0.110888
H 4.460724 -0.171941 -0.045705
H 3.408394 -0.442101 1.477947
H -3.508514 -2.403711 0.096164
H -4.583564 -0.136676 0.009616


%chk=000268986-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000268986

0 1
O 2.804836 0.940144 0.016277
O 2.950370 -1.445020 -0.363087
N -2.816387 0.922168 -0.007210
C 0.733251 -0.399859 0.011999
C -0.703042 -0.404334 0.024895
C 1.400540 0.837038 -0.013196
C 1.533298 -1.695457 -0.016717
C -1.430173 0.852066 -0.016795
C 0.692137 2.077866 -0.076852
C -0.698009 2.083375 -0.078206
C -1.485908 -1.606670 0.073576
C 3.462559 -0.331388 0.389457
C -2.880728 -1.523724 0.081516
C -3.503635 -0.236909 0.041468
H 1.480301 -2.231939 0.956469
H 1.173516 -2.373996 -0.808266
H 1.275003 3.003144 -0.113870
H -1.271623 3.013648 -0.118624
H -0.996743 -2.586402 0.107793
H 4.521418 -0.210426 0.127898
H 3.307338 -0.479678 1.480794
H -3.501150 -2.424788 0.118917
H -4.596869 -0.151762 0.048065


