%chk=000217642.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217642

0 1
O -1.674596 2.163984 -0.126741
O -2.752207 -1.113052 1.120791
N -0.967555 0.058143 -0.670152
N -2.286835 -0.316853 -0.993829
C -0.109201 -1.097655 -0.259987
C 1.329561 -0.665478 -0.179635
C 1.657288 0.649313 0.196883
C 0.578121 1.636814 0.521029
C -0.781683 1.338637 -0.062082
C 2.348609 -1.585898 -0.458611
C 3.003155 1.031544 0.289785
C 3.687553 -1.200334 -0.358321
C 4.013975 0.107697 0.014349
C -3.178454 -0.750640 0.043838
C -4.611715 -0.823636 -0.384985
H -0.247529 -1.909621 -1.013252
H -0.444860 -1.511528 0.726756
H 0.462605 1.711089 1.630814
H 0.869165 2.664838 0.198693
H 2.099540 -2.604212 -0.754281
H 3.263660 2.048769 0.577618
H -2.662969 0.289471 -1.739952
H 4.476894 -1.918759 -0.573462
H 5.058161 0.408034 0.089074
H -5.196762 -1.407770 0.345588
H -5.070128 0.175953 -0.431477
H -4.747294 -1.302049 -1.364550


%chk=000217642-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000217642

0 1
O -1.499696 2.419662 -0.446220
O -2.900724 -1.707123 0.941687
N -1.060116 0.170711 -0.120986
N -2.349676 -0.082070 -0.647252
C -0.172995 -0.993105 0.122387
C 1.296261 -0.624310 -0.006836
C 1.719787 0.716237 0.169702
C 0.694033 1.791206 0.492793
C -0.696059 1.509602 -0.060163
C 2.250479 -1.633140 -0.281780
C 3.095517 1.031464 0.057840
C 3.622435 -1.315852 -0.377303
C 4.046526 0.023294 -0.209713
C -3.237442 -0.963783 -0.026099
C -4.621280 -0.992064 -0.663990
H -0.442011 -1.767518 -0.618597
H -0.403384 -1.419234 1.116770
H 0.595496 1.904148 1.593221
H 1.001707 2.776635 0.104955
H 1.918582 -2.668987 -0.423204
H 3.421270 2.071221 0.181702
H -2.687923 0.711778 -1.207356
H 4.353367 -2.103274 -0.590283
H 5.108375 0.279310 -0.292045
H -4.808705 -1.996789 -1.080916
H -5.375037 -0.814883 0.121738
H -4.752286 -0.246335 -1.466151


