%chk=000208423.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000208423

0 1
O 2.052072 -1.941837 0.463209
O -2.510694 -1.661123 0.459415
N 1.136433 0.142444 0.012154
N -2.388790 1.281268 -0.193568
N -0.246169 -1.797617 0.448606
C 2.524547 0.731194 -0.132385
C 3.304342 0.608054 1.189597
C 3.279067 0.058867 -1.294096
C 4.686856 1.254151 1.031186
C 4.661591 0.705655 -1.449658
C 5.460744 0.632198 -0.140371
C -0.024081 0.928579 -0.146747
C -1.277676 0.368792 -0.007328
C -3.190070 1.527506 1.044251
C -3.225176 0.986685 -1.397112
C -4.367691 0.568796 1.277846
C -4.403125 0.026399 -1.171816
C -5.249583 0.469198 0.027514
C 1.051598 -1.259768 0.319320
C -1.473585 -1.046941 0.305427
C 0.121400 2.379464 -0.467950
C -0.331619 -3.254665 0.745749
H 2.401953 1.826440 -0.373430
H 2.746664 1.076770 2.019088
H 3.420745 -0.464580 1.463152
H 3.394943 -1.029618 -1.092225
H 2.703430 0.136605 -2.232889
H 5.262089 1.128927 1.968649
H 4.584666 2.345483 0.880672
H 4.557627 1.759158 -1.771246
H 5.219057 0.194457 -2.257945
H 6.434412 1.141248 -0.262835
H 5.693678 -0.426468 0.091315
H -3.573263 2.569036 0.941360
H -2.512223 1.517230 1.922908
H -2.571643 0.602153 -2.207461
H -3.611510 1.976617 -1.733283
H -4.960293 0.905040 2.145920
H -3.982688 -0.443195 1.532765
H -4.019463 -1.001151 -0.986545
H -5.021456 -0.031268 -2.084049
H -6.067842 -0.254595 0.199599
H -5.732768 1.441679 -0.180823
H -0.378514 2.993197 0.303472
H -0.406805 2.616878 -1.409475
H 1.158126 2.736262 -0.563652
H -0.219925 -3.842086 -0.180588
H -1.317237 -3.485985 1.191949
H 0.464748 -3.554437 1.449053


%chk=000208423-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000208423

0 1
O 2.229349 -2.163354 0.130299
O -2.440022 -2.115070 0.019452
N 1.155025 -0.085260 -0.175627
N -2.484777 0.738662 -0.449799
N -0.097082 -2.118704 -0.014218
C 2.475473 0.632424 -0.049676
C 3.138113 0.411568 1.334633
C 3.441426 0.301982 -1.215173
C 4.429591 1.260626 1.441285
C 4.736623 1.142339 -1.089661
C 5.410578 0.938449 0.288185
C -0.039490 0.623339 -0.440470
C -1.287330 -0.000529 -0.331853
C -2.819675 1.807698 0.516045
C -3.611533 0.286470 -1.298553
C -4.043387 1.431151 1.387795
C -4.875803 -0.073483 -0.482292
C -5.250807 1.069509 0.490713
C 1.164767 -1.488235 -0.013938
C -1.360240 -1.453508 -0.090989
C 0.051634 2.068078 -0.875969
C -0.082701 -3.587654 0.171185
H 2.234988 1.708112 -0.111322
H 2.425471 0.691792 2.134889
H 3.381752 -0.656805 1.458496
H 3.682747 -0.774745 -1.184538
H 2.941404 0.505664 -2.182690
H 4.912338 1.074643 2.419669
H 4.174572 2.341374 1.411444
H 4.498596 2.219191 -1.222580
H 5.434574 0.868214 -1.903597
H 6.314195 1.573290 0.367502
H 5.744954 -0.114830 0.377963
H -3.051614 2.752327 -0.028990
H -1.937871 1.999727 1.152251
H -3.283596 -0.583463 -1.889895
H -3.860510 1.105933 -2.012319
H -4.291652 2.279692 2.056291
H -3.780117 0.564346 2.024589
H -4.666020 -0.999660 0.081260
H -5.712942 -0.276701 -1.179199
H -6.118596 0.776665 1.111637
H -5.557574 1.968257 -0.086485
H 0.235468 2.773205 -0.042317
H -0.915080 2.337335 -1.330733
H 0.849165 2.214181 -1.626066
H 0.495104 -4.061320 -0.638999
H -1.128477 -3.926300 0.158638
H 0.395889 -3.845527 1.130427


