%chk=000191111.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000191111

0 1
O -0.910349 0.409658 1.296870
N 0.937111 -0.016886 -1.146740
N 2.446851 -2.082984 0.319158
C 0.318929 -1.300895 -0.677366
C 0.998167 -1.832275 0.614703
C 2.393369 -0.292338 -1.397371
C 3.115481 -0.820098 -0.140548
C -1.172495 -1.213252 -0.490438
C 0.696890 1.211613 -0.445872
C -1.736337 -0.372478 0.479936
C 3.134972 -2.623182 1.529274
C -0.204419 1.420946 0.622714
C -2.044362 -2.017423 -1.237009
C 1.350395 2.370441 -0.938466
C -3.108232 -0.331284 0.748995
C -0.434792 2.685863 1.182213
C -3.421286 -1.989246 -0.992269
C 1.133967 3.628242 -0.384123
C -3.950311 -1.158149 0.002276
C 0.247971 3.793579 0.687423
H 0.532663 -2.036890 -1.509480
H 0.825623 -1.122262 1.454307
H 0.532599 -2.796907 0.907550
H 2.897650 0.621352 -1.776446
H 2.448201 -1.044770 -2.217562
H 4.168767 -1.066012 -0.394548
H 3.143865 -0.029882 0.640277
H 4.183136 -2.848841 1.275690
H 2.660991 -3.577021 1.813248
H 3.124338 -1.958772 2.406020
H -1.647128 -2.672936 -2.012386
H 2.034744 2.272272 -1.783447
H -3.491730 0.331656 1.521012
H -1.142818 2.774187 2.005935
H -4.085976 -2.619727 -1.580174
H 1.657041 4.492709 -0.791488
H -5.023357 -1.148828 0.190607
H 0.086672 4.777021 1.122024


%chk=000191111-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000191111

0 1
O -0.890005 0.594973 1.345535
N 1.125837 0.096689 -0.812925
N 2.457392 -2.241766 0.279390
C 0.390186 -1.178897 -0.606192
C 1.024911 -1.990182 0.566424
C 2.555552 -0.172425 -1.092748
C 3.196334 -0.977150 0.062002
C -1.113848 -1.091629 -0.427696
C 0.706111 1.386793 -0.423011
C -1.700352 -0.288007 0.578550
C 3.091486 -3.101112 1.297510
C -0.257349 1.647672 0.602114
C -1.967017 -1.948704 -1.165089
C 1.274115 2.538649 -1.054058
C -3.074790 -0.350558 0.877738
C -0.597748 2.956201 0.991363
C -3.351115 -2.019105 -0.889671
C 0.945950 3.848986 -0.657402
C -3.904364 -1.226756 0.143088
C 0.009076 4.073097 0.378343
H 0.585296 -1.779873 -1.519564
H 0.868740 -1.426768 1.519153
H 0.509333 -2.964623 0.650826
H 3.100842 0.775002 -1.217507
H 2.646797 -0.758346 -2.029528
H 4.243869 -1.221832 -0.199184
H 3.211841 -0.336970 0.981931
H 4.129205 -3.331746 0.995415
H 2.537722 -4.053939 1.375577
H 3.121507 -2.634867 2.314285
H -1.534893 -2.576684 -1.953717
H 1.969433 2.393178 -1.887612
H -3.472722 0.288790 1.671688
H -1.332537 3.072929 1.794695
H -3.991581 -2.689175 -1.472830
H 1.411757 4.696567 -1.172527
H -4.975192 -1.280423 0.367833
H -0.252976 5.088209 0.692300


