%chk=000245689.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245689

0 1
O -1.042274 3.136313 0.965402
O 6.133761 -0.134827 -1.430123
O 5.294743 -2.206010 -1.478595
N 0.454296 1.417950 0.977927
N -2.693646 0.810587 0.809705
N -1.738058 -1.274767 0.948305
C -0.405994 0.648073 1.918793
C -1.583062 0.035590 1.225871
C -3.601981 -0.083542 0.221775
C -2.993308 -1.386818 0.321096
C 1.626701 0.793553 0.428314
C -4.867179 0.097090 -0.369311
C -3.670446 -2.518769 -0.178625
C 1.641250 -0.588133 0.159844
C 2.763177 1.586451 0.166700
C -5.501473 -1.033900 -0.849915
C -4.911311 -2.325057 -0.755779
C 0.013810 2.691068 0.550277
C 2.788289 -1.171206 -0.371026
C 3.903973 0.993009 -0.369561
C 3.922680 -0.384294 -0.640354
C 5.114633 -1.041042 -1.205408
H -0.756718 1.346300 2.723460
H 0.197408 -0.147577 2.423710
H -2.771938 1.818921 0.874431
H -5.315563 1.083167 -0.438611
H -3.210290 -3.502131 -0.100009
H 0.756354 -1.208463 0.345744
H 2.773241 2.649073 0.400049
H -6.482851 -0.947350 -1.316432
H -5.464171 -3.175462 -1.153278
H 2.811900 -2.245510 -0.587756
H 4.794770 1.595567 -0.577573
H 0.677984 3.217913 -0.150878
H 6.943191 -0.570866 -1.811469


%chk=000245689-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245689

0 1
O -1.087828 3.173894 0.963320
O 6.245070 -0.136055 -1.428292
O 5.304771 -2.260241 -1.445899
N 0.452204 1.416430 0.950572
N -2.730634 0.785960 0.841198
N -1.750350 -1.278059 0.925871
C -0.424422 0.647153 1.888725
C -1.619960 0.028681 1.221451
C -3.649800 -0.088275 0.248387
C -3.022511 -1.383713 0.313749
C 1.643191 0.818202 0.416428
C -4.926004 0.103324 -0.321117
C -3.689635 -2.519447 -0.199540
C 1.673834 -0.579244 0.156622
C 2.791594 1.615111 0.157649
C -5.572469 -1.043186 -0.828974
C -4.965470 -2.333310 -0.768968
C 0.003058 2.669368 0.557903
C 2.841925 -1.162532 -0.363222
C 3.950059 1.024270 -0.377894
C 3.985222 -0.368991 -0.641091
C 5.189990 -1.035767 -1.195091
H -0.751142 1.354346 2.671681
H 0.176657 -0.148924 2.350326
H -2.758515 1.807207 0.922840
H -5.400074 1.088803 -0.369794
H -3.219738 -3.506315 -0.150655
H 0.783173 -1.192894 0.333766
H 2.795225 2.679940 0.411310
H -6.565663 -0.941598 -1.280152
H -5.506259 -3.194850 -1.175263
H 2.882613 -2.235858 -0.574563
H 4.839997 1.627884 -0.574829
H 0.666159 3.185753 -0.162603
H 7.017632 -0.642165 -1.797154


