%chk=000225050.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000225050

0 1
O -2.495960 -2.658965 0.109786
O -3.793548 1.760187 0.503511
N -1.584906 1.389121 -0.023630
N 0.336874 -1.596478 -0.536721
N 2.592035 -0.895064 -1.191020
N -3.148891 -0.456381 0.305963
N 0.752819 0.676683 -0.578194
C -0.877612 -0.935369 -0.242106
C -0.589671 0.453389 -0.280404
C 3.550472 0.245798 -1.279034
C 1.290922 -0.589939 -0.745846
C 4.121096 0.690600 0.072923
C -2.171775 -1.489854 0.054422
C -2.915963 0.948161 0.279316
C 5.116775 -0.314649 0.663980
C -1.282295 2.839941 -0.068653
C -4.544713 -0.867487 0.623291
C 5.679973 0.172773 1.996622
H 4.359992 -0.084756 -1.969440
H 3.038746 1.106604 -1.774371
H 3.293019 0.880718 0.787354
H 4.615061 1.675563 -0.053073
H 0.421720 -2.592329 -0.638913
H 3.004400 -1.716497 -0.733946
H 5.946910 -0.487611 -0.049772
H 4.629757 -1.298182 0.807955
H -2.195270 3.425766 0.153489
H -0.910721 3.121594 -1.070050
H -0.505292 3.091107 0.674838
H -4.621914 -1.971528 0.615382
H -5.246539 -0.454671 -0.121716
H -4.838338 -0.495499 1.619918
H 4.888656 0.326178 2.740030
H 6.387924 -0.550673 2.417340
H 6.212756 1.124848 1.887970


%chk=000225050-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000225050

0 1
O -2.479883 -2.740054 0.107080
O -3.834782 1.772018 0.521128
N -1.590682 1.363876 -0.037451
N 0.331327 -1.582615 -0.560601
N 2.573096 -0.797732 -1.114791
N -3.141227 -0.458073 0.311327
N 0.717810 0.674166 -0.606156
C -0.893610 -0.952046 -0.252973
C -0.611197 0.418728 -0.295163
C 3.533401 0.314883 -1.263453
C 1.265079 -0.571079 -0.766390
C 4.188713 0.759839 0.065817
C -2.174346 -1.505246 0.053808
C -2.909652 0.942486 0.279060
C 5.049250 -0.333036 0.737705
C -1.279412 2.804128 -0.090649
C -4.523252 -0.868079 0.645738
C 5.711914 0.153145 2.044841
H 4.310942 -0.008849 -1.981664
H 2.985905 1.162589 -1.709459
H 3.392504 1.096952 0.757363
H 4.820565 1.646606 -0.146374
H 0.453880 -2.591544 -0.628553
H 2.925139 -1.753504 -1.117801
H 5.833581 -0.671923 0.028757
H 4.416641 -1.217180 0.958212
H -2.204618 3.350992 0.142243
H -0.917854 3.076885 -1.096444
H -0.495185 3.050757 0.644879
H -4.545859 -1.967958 0.637253
H -5.230866 -0.460516 -0.094971
H -4.804174 -0.481972 1.639382
H 4.948412 0.464924 2.781756
H 6.325528 -0.640860 2.508107
H 6.369410 1.022393 1.855640


