%chk=000211038.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000211038

0 1
O -2.984437 -2.008823 -1.005890
N -4.424322 -0.603590 0.032501
C 0.546958 -0.235572 0.668207
C -0.647622 -0.955027 0.010563
C 0.633268 1.207603 0.207119
C 1.868703 -0.935806 0.410826
C -1.987175 -0.350145 0.446536
C -3.133665 -1.063265 -0.242707
C 0.959000 1.522141 -1.121063
C 2.898689 -0.787902 1.355754
C 0.373794 2.243397 1.117405
C 2.097559 -1.708183 -0.736183
C 1.020547 2.855530 -1.532173
C 4.133094 -1.409358 1.156727
C 0.437351 3.576638 0.701619
C 3.334612 -2.330980 -0.930465
C 0.758608 3.886133 -0.623031
C 4.354384 -2.184814 0.013526
C -5.586675 -1.247524 -0.618578
C -4.706018 0.547737 0.912029
H 0.370475 -0.252206 1.778358
H -0.571221 -0.917773 -1.096118
H -0.624786 -2.035239 0.266111
H -2.005963 0.733861 0.202357
H -2.101564 -0.419927 1.546614
H 1.172619 0.723795 -1.830897
H 2.738879 -0.180542 2.244576
H 0.128221 2.014409 2.151780
H 1.315083 -1.833130 -1.483747
H 1.275756 3.092732 -2.563886
H 4.925543 -1.288999 1.893405
H 0.238668 4.375640 1.413614
H 3.501210 -2.932394 -1.822852
H 0.808630 4.923605 -0.945381
H 5.315435 -2.670241 -0.139565
H -6.125016 -0.534972 -1.262996
H -6.280011 -1.655956 0.133282
H -5.241570 -2.088717 -1.256042
H -4.330584 0.365456 1.933908
H -5.790273 0.732882 0.988199
H -4.239786 1.470326 0.523558


%chk=000211038-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000211038

0 1
O -2.995141 -1.996510 -1.133901
N -4.464281 -0.561797 -0.043709
C 0.556624 -0.272716 0.654975
C -0.654684 -0.957466 -0.037850
C 0.648185 1.214078 0.274290
C 1.891860 -0.995830 0.396998
C -1.999945 -0.326964 0.366803
C -3.179871 -1.027511 -0.328582
C 1.047275 1.602030 -1.031585
C 3.038749 -0.597049 1.134935
C 0.311224 2.227761 1.206008
C 2.035134 -2.043337 -0.547389
C 1.100586 2.964493 -1.396407
C 4.287134 -1.224201 0.941853
C 0.366858 3.595018 0.846803
C 3.286740 -2.672925 -0.747467
C 0.759694 3.968388 -0.458266
C 4.417367 -2.268510 -0.004786
C -5.620429 -1.207262 -0.688162
C -4.781577 0.556042 0.854281
H 0.373328 -0.314967 1.750303
H -0.552610 -0.900922 -1.137057
H -0.670640 -2.032650 0.216697
H -1.999231 0.751030 0.111871
H -2.125803 -0.387738 1.467895
H 1.332438 0.831315 -1.757873
H 2.948974 0.220322 1.861659
H 0.008933 1.944854 2.222851
H 1.173085 -2.382844 -1.130196
H 1.413665 3.245619 -2.408540
H 5.156884 -0.900443 1.525146
H 0.107851 4.364563 1.583297
H 3.374613 -3.481517 -1.482352
H 0.806076 5.026382 -0.739970
H 5.385515 -2.758242 -0.158988
H -6.174053 -0.481838 -1.315914
H -6.313396 -1.615306 0.073144
H -5.247247 -2.026336 -1.321189
H -3.871849 0.989560 1.291173
H -5.436625 0.217031 1.681691
H -5.315009 1.357195 0.304511


