%chk=000258324.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000258324

0 1
O -2.969327 3.159950 -0.416836
O -3.482438 0.502626 0.103665
N 0.166275 1.300300 0.043732
N 2.944392 0.491460 0.154085
C 0.625305 0.240760 0.999463
C 1.270821 2.288788 -0.183034
C 1.843571 -0.491376 0.401137
C 2.488768 1.561683 -0.787181
C -1.076309 1.976219 0.527306
C -2.001209 2.147210 -0.699744
C 4.259580 -0.025542 -0.024820
C -2.702269 0.833680 -1.085507
C 5.260332 0.755976 -0.649324
C 4.621392 -1.276687 0.528389
C 6.574566 0.296683 -0.705813
C 5.941511 -1.717230 0.461030
C 6.926210 -0.940316 -0.156932
C -4.266318 -0.630477 0.071951
C -4.358983 -1.521264 -1.003156
C -4.988969 -0.822253 1.268080
C -5.201720 -2.631620 -0.869681
C -5.817081 -1.935363 1.368903
C -5.927062 -2.842704 0.303869
H -0.203857 -0.487033 1.138997
H 0.886863 0.645861 2.001643
H 1.574825 2.818054 0.747222
H 0.911707 3.058997 -0.898991
H 1.549592 -1.017298 -0.534687
H 2.192381 -1.264969 1.123008
H 3.312090 2.296538 -0.939682
H 2.226791 1.142787 -1.784475
H -1.599124 1.370417 1.300225
H -0.901445 2.971236 0.989553
H -1.450929 2.563884 -1.576557
H -1.975449 0.025128 -1.278883
H -3.392607 0.968376 -1.934567
H 5.013954 1.726548 -1.074686
H 3.875551 -1.894932 1.023523
H -3.641006 2.825396 0.221565
H 7.336152 0.911056 -1.185965
H 6.207013 -2.681054 0.895262
H 7.951631 -1.292279 -0.208080
H -3.801640 -1.371272 -1.920515
H -4.889018 -0.106620 2.078922
H -5.288353 -3.336875 -1.696583
H -6.386167 -2.103922 2.283424
H -6.578291 -3.707924 0.395644


%chk=000258324-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000258324

0 1
O -3.127402 3.283994 -0.194521
O -3.522598 0.564742 0.144211
N 0.137336 1.434011 0.310660
N 2.887888 0.501068 0.167109
C 0.718709 0.630493 1.409990
C 1.197668 2.294469 -0.261103
C 1.849452 -0.269787 0.886128
C 2.347671 1.448519 -0.832231
C -1.085297 2.183400 0.689285
C -2.051835 2.335468 -0.512547
C 4.161703 -0.084844 -0.051173
C -2.631985 0.987602 -0.958524
C 5.085898 0.460293 -0.998898
C 4.594602 -1.232280 0.687186
C 6.372410 -0.090980 -1.166436
C 5.883884 -1.773276 0.508869
C 6.793358 -1.210711 -0.414549
C -4.215794 -0.651952 0.016383
C -4.096768 -1.519130 -1.097299
C -5.068458 -0.984083 1.098171
C -4.840932 -2.722209 -1.116133
C -5.802241 -2.186161 1.063287
C -5.693881 -3.063681 -0.043977
H -0.069173 -0.011947 1.843210
H 1.121807 1.283599 2.225181
H 1.605618 2.991119 0.514929
H 0.777070 2.909990 -1.076897
H 1.414331 -1.053875 0.224897
H 2.300166 -0.771449 1.757638
H 3.141882 2.144908 -1.146376
H 1.988953 0.905282 -1.736591
H -1.610907 1.630653 1.489900
H -0.860567 3.202681 1.078939
H -1.517026 2.787719 -1.367013
H -1.814296 0.255403 -1.100291
H -3.225095 1.101782 -1.886414
H 4.814071 1.318849 -1.618039
H 3.931580 -1.718596 1.407054
H -3.789503 2.793120 0.360059
H 7.049335 0.361821 -1.900699
H 6.174516 -2.650964 1.098421
H 7.792540 -1.636604 -0.551050
H -3.440486 -1.273959 -1.937319
H -5.141045 -0.295386 1.945947
H -4.748711 -3.392663 -1.978058
H -6.460720 -2.438992 1.901747
H -6.266027 -3.996855 -0.068164


