%chk=000281811.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000281811

0 1
O 1.950004 0.862955 0.496641
O 2.648839 -2.222024 -0.526949
O 4.900100 1.140272 -0.025979
N -0.073905 -0.007976 -0.344494
N -1.509790 -1.637674 0.426728
N -1.784026 1.858303 -0.589349
N -3.943460 1.235905 0.002925
N -3.049036 2.081686 -0.426300
N -4.570475 -0.931543 0.780570
C 1.182570 0.693295 -0.701788
C 3.062204 -0.867035 -0.763868
C 2.043282 -0.143381 -1.662550
C 2.952435 -0.188294 0.623666
C 4.238398 0.512101 1.076184
C -1.337966 0.578716 -0.270569
C -0.241656 -1.362926 0.107482
C -2.227599 -0.449249 0.203697
C -3.597542 -0.082947 0.345815
H 0.939818 1.733927 -1.035335
H 4.093022 -0.854648 -1.175312
H 2.548315 0.511096 -2.396928
H 1.445582 -0.859185 -2.257680
H 2.571361 -0.897646 1.394038
H 4.988964 -0.215185 1.443952
H 4.020709 1.261110 1.861713
H 2.919563 -2.806844 -1.262789
H 0.607281 -2.046997 0.150914
H 4.381149 1.923253 -0.318879
H -4.341168 -1.877497 1.046426
H -5.524975 -0.617968 0.873917


%chk=000281811-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000281811

0 1
O 1.981656 0.915228 0.455194
O 2.658968 -2.314230 -0.443272
O 4.748518 1.459480 -0.019954
N -0.092467 -0.087928 -0.349133
N -1.560050 -1.678531 0.430235
N -1.665927 1.819622 -0.612289
N -3.929433 1.252625 0.012168
N -2.998658 2.155994 -0.453259
N -4.583889 -0.873705 0.793133
C 1.149716 0.619480 -0.719573
C 3.069101 -0.923709 -0.732064
C 2.084060 -0.169157 -1.665435
C 3.001217 -0.164900 0.619209
C 4.303783 0.531613 1.024327
C -1.348508 0.532328 -0.276325
C -0.281843 -1.411117 0.093322
C -2.235279 -0.465161 0.199848
C -3.585912 -0.057092 0.344659
H 0.818618 1.592550 -1.116441
H 4.092509 -0.907785 -1.149390
H 2.646447 0.558837 -2.274080
H 1.533848 -0.843533 -2.341950
H 2.671898 -0.871468 1.405741
H 5.111631 -0.210771 1.135002
H 4.159138 1.054986 1.990579
H 2.863248 -2.889780 -1.222113
H 0.547801 -2.116516 0.135882
H 4.040971 2.149683 -0.110765
H -4.381790 -1.836546 1.053819
H -5.527370 -0.496898 0.868824


