%chk=000258172.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000258172

0 1
O -0.055242 2.504321 0.378399
O -4.242794 0.400192 0.415532
O -1.590565 -0.721171 1.591136
O -4.013831 -1.779972 -0.191439
N 2.039260 1.578242 0.395207
N 0.919059 -0.763682 -0.757594
C 2.884879 0.491799 0.085291
C 0.149877 0.240348 -0.447195
C 2.299231 -0.665462 -0.508768
C 0.639016 1.534069 0.142028
C -1.331122 0.150006 -0.664839
C 4.281391 0.512637 0.330335
C 2.596120 2.803517 1.019502
C 3.116731 -1.772487 -0.850774
C 5.053926 -0.583444 -0.013969
C 4.476794 -1.727880 -0.606576
C -2.046390 -0.455309 0.517046
C -3.539578 -0.745022 0.196672
C -5.695938 0.381513 0.207530
C -6.005771 0.420123 -1.272591
H -1.755644 1.172597 -0.851454
H -1.547564 -0.441093 -1.588454
H 4.746705 1.383043 0.787984
H 3.345882 3.274777 0.363066
H 3.049409 2.576314 1.998833
H 1.782483 3.541787 1.188207
H 2.645359 -2.649394 -1.302931
H 6.129268 -0.569390 0.174089
H 5.111393 -2.574278 -0.865616
H -6.106174 -0.512212 0.709600
H -5.984927 1.305122 0.743186
H -7.080452 0.549024 -1.452441
H -5.484160 1.244414 -1.775702
H -5.700733 -0.513247 -1.769899


%chk=000258172-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000258172

0 1
O -0.087846 2.289504 1.013003
O -4.054954 0.597451 -0.493025
O -1.511023 -0.688467 1.660235
O -4.359390 -0.395527 1.603457
N 2.074841 1.405850 0.711827
N 0.929726 -0.581758 -0.974830
C 2.913470 0.447737 0.113288
C 0.164891 0.326189 -0.388174
C 2.314496 -0.539500 -0.743716
C 0.672237 1.412605 0.495340
C -1.327617 0.289225 -0.588954
C 4.318850 0.428745 0.323551
C 2.633195 2.445369 1.600425
C 3.133771 -1.513721 -1.371726
C 5.107496 -0.548543 -0.310464
C 4.521660 -1.523726 -1.161681
C -2.068995 -0.174385 0.667717
C -3.616161 -0.019760 0.675799
C -5.536404 0.805058 -0.625194
C -6.201109 -0.438863 -1.219825
H -1.722953 1.281173 -0.870862
H -1.571041 -0.407972 -1.412229
H 4.793853 1.166715 0.975335
H 3.368010 3.066101 1.058401
H 3.117556 1.983971 2.478777
H 1.794693 3.074475 1.933717
H 2.637959 -2.248081 -2.013547
H 6.189734 -0.554104 -0.141096
H 5.149326 -2.277804 -1.646271
H -5.941258 1.043259 0.373933
H -5.613526 1.679690 -1.289767
H -7.275243 -0.237534 -1.388039
H -5.745162 -0.705745 -2.188604
H -6.117184 -1.297825 -0.533399


