%chk=000250892.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000250892

0 1
O -3.865355 -1.383015 -0.680078
N 1.476686 -0.628661 0.092827
N -2.547301 1.750524 0.568740
C 1.655525 0.501528 -0.863284
C 2.755384 -1.221959 0.613327
C 2.684331 1.578859 -0.477910
C 3.914778 -1.216589 -0.394348
C 4.084308 1.267228 -1.020576
C 4.750836 0.068628 -0.333919
C 0.600527 -0.252144 1.257062
C -0.801211 0.063057 0.798110
C -1.647903 -0.920786 0.249931
C -1.293632 1.374046 0.933060
C -2.943480 -0.522818 -0.127545
C -1.209444 -2.332742 0.062212
C -3.380507 0.821969 0.041302
C -4.758450 1.235262 -0.346954
H 1.934105 0.039508 -1.838409
H 0.663071 0.975113 -1.033790
H 3.094602 -0.737830 1.556034
H 2.502924 -2.277680 0.868433
H 2.721533 1.700480 0.620506
H 2.351333 2.557874 -0.873808
H 3.533406 -1.380422 -1.421411
H 4.569204 -2.085028 -0.181081
H 4.027633 1.086870 -2.112264
H 4.730674 2.158936 -0.898833
H 4.973266 0.321116 0.721271
H 5.734566 -0.115804 -0.809850
H 1.014382 0.598614 1.844669
H 0.560527 -1.121782 1.954661
H -0.669019 2.172539 1.348699
H -1.033532 -2.829144 1.027141
H -1.937627 -2.936187 -0.498871
H -0.249910 -2.367457 -0.490080
H -5.115607 0.665127 -1.218355
H -5.465326 1.050356 0.476393
H -4.811827 2.307653 -0.587893
H -3.465968 -2.291239 -0.803820


%chk=000250892-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000250892

0 1
O -3.903722 -1.405757 -0.720034
N 1.520923 -0.550556 0.158845
N -2.669375 1.740111 0.704680
C 1.683126 0.503772 -0.877426
C 2.765334 -1.141331 0.726376
C 2.762807 1.595397 -0.616335
C 3.945621 -1.277659 -0.260813
C 4.163000 1.184890 -1.133803
C 4.815936 -0.000422 -0.384282
C 0.586047 -0.188670 1.260638
C -0.837929 0.100471 0.808795
C -1.662228 -0.888171 0.195079
C -1.394061 1.381250 1.034796
C -2.989719 -0.509491 -0.134323
C -1.166401 -2.295650 -0.085155
C -3.473746 0.805703 0.121818
C -4.886217 1.195716 -0.240825
H 1.913200 0.016401 -1.846168
H 0.691618 0.975332 -0.999413
H 3.127907 -0.547395 1.605045
H 2.497232 -2.142983 1.122698
H 2.804301 1.841366 0.465004
H 2.454578 2.525086 -1.134705
H 3.575078 -1.601888 -1.253275
H 4.593061 -2.096771 0.110034
H 4.068066 0.926464 -2.209497
H 4.848573 2.054517 -1.081793
H 5.095688 0.324788 0.639671
H 5.763984 -0.258173 -0.897931
H 0.954288 0.688262 1.851357
H 0.580038 -1.047467 1.963079
H -0.787195 2.164874 1.505501
H -1.525226 -3.016585 0.676211
H -1.488976 -2.665350 -1.080574
H -0.063852 -2.297145 -0.095908
H -5.077991 1.043062 -1.318934
H -5.622834 0.571221 0.298053
H -5.044947 2.254058 0.016798
H -3.478486 -2.287278 -0.871983


