%chk=000256953.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000256953

0 1
O -2.697439 0.256962 2.092548
N -0.683452 -0.026090 -0.801939
N -0.427333 0.192985 1.463036
C -2.098129 0.016663 -0.304750
C -2.850680 -1.292595 -0.599426
C -2.872478 1.233547 -0.839879
C -1.841704 0.172918 1.255722
C 0.193703 0.070803 0.279395
C -0.340685 -0.128519 -2.223739
C -2.186588 -2.529466 -0.004568
C -2.197672 2.568899 -0.546746
C 1.662142 0.052055 0.130141
C 2.299063 -0.998427 -0.548523
C 2.417800 1.082071 0.711121
C 3.690874 -1.001612 -0.664847
C 3.809830 1.072374 0.585717
C 4.445493 0.034791 -0.103254
H -2.967019 -1.416786 -1.693524
H -3.879747 -1.199196 -0.187843
H -3.883609 1.227051 -0.375375
H -3.036374 1.124875 -1.929490
H 0.701231 0.189466 -2.405683
H -0.999848 0.521946 -2.827341
H -0.459143 -1.167248 -2.582125
H -1.165457 -2.670072 -0.375157
H -2.128376 -2.471638 1.092154
H -2.754838 -3.435267 -0.246338
H -2.088756 2.739967 0.533772
H -1.196824 2.632320 -0.988054
H -2.788151 3.402896 -0.943991
H 1.712829 -1.815400 -0.967612
H 1.915605 1.874817 1.270806
H 4.190019 -1.816411 -1.187441
H 4.399153 1.871225 1.035030
H 5.531158 0.028495 -0.196395


%chk=000256953-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000256953

0 1
O -2.681353 0.444691 2.105397
N -0.702832 -0.061057 -0.821839
N -0.386181 0.328907 1.437491
C -2.091244 0.022969 -0.279712
C -2.870985 -1.309561 -0.458244
C -2.898630 1.213957 -0.867783
C -1.785889 0.292648 1.235146
C 0.184893 0.108919 0.226560
C -0.430332 -0.173711 -2.254823
C -2.155905 -2.554496 0.103928
C -2.178971 2.576618 -0.808893
C 1.659955 0.066615 0.092945
C 2.334304 -0.775287 -0.832445
C 2.424647 0.866752 0.985585
C 3.745045 -0.794909 -0.879583
C 3.832259 0.854867 0.925794
C 4.497967 0.027274 -0.010003
H -3.097085 -1.449843 -1.535518
H -3.839492 -1.173124 0.059953
H -3.830364 1.263680 -0.272811
H -3.199097 0.979004 -1.909850
H 0.540175 0.286453 -2.500807
H -1.215394 0.360140 -2.818022
H -0.420953 -1.227206 -2.598446
H -1.175980 -2.718684 -0.381165
H -1.983923 -2.457854 1.190460
H -2.769499 -3.458291 -0.060694
H -1.943709 2.855760 0.233287
H -1.232498 2.570479 -1.380151
H -2.822059 3.369254 -1.231455
H 1.768866 -1.447824 -1.485119
H 1.889962 1.474049 1.722106
H 4.255286 -1.457686 -1.586892
H 4.410936 1.481164 1.613178
H 5.592678 0.013733 -0.052173


