%chk=000256993.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000256993

0 1
O 4.685427 -0.473738 0.245606
O 4.506062 1.569446 -0.646725
O -4.446474 -1.560955 -0.579100
N -4.078777 0.455023 0.481487
C 3.815790 -1.565519 0.722578
C 2.363224 -1.052475 0.583788
C 2.482517 0.319097 -0.004953
C 4.139260 -2.777108 -0.127560
C 3.938147 0.607402 -0.203333
C 1.521339 1.199840 -0.301828
C 0.081819 0.975191 -0.110475
C -0.562096 -0.143257 -0.663690
C -0.670117 1.910875 0.621115
C -2.673883 0.594434 0.257314
C -1.930159 -0.338463 -0.487051
C -2.036527 1.725760 0.813575
C -4.891186 -0.620521 0.044819
C -6.336525 -0.476708 0.430785
H 4.123232 -1.696735 1.781079
H 1.847080 -1.024196 1.563111
H 1.751893 -1.717627 -0.056088
H 3.875109 -2.621700 -1.182137
H 5.220030 -2.984577 -0.110878
H 3.619369 -3.674479 0.225005
H 1.787206 2.184894 -0.713340
H 0.010484 -0.863399 -1.249914
H -0.179775 2.786530 1.048409
H -2.421150 -1.214513 -0.927337
H -2.600602 2.456033 1.388800
H -4.517997 1.212786 1.008201
H -6.483667 -0.436437 1.518161
H -6.906796 -1.349140 0.065673
H -6.805356 0.412938 -0.010793


%chk=000256993-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000256993

0 1
O 4.799057 -0.393816 0.181453
O 4.326219 1.882573 0.021551
O -4.659231 -1.753683 0.077920
N -4.248507 0.546780 0.324982
C 4.033745 -1.662789 0.432437
C 2.536257 -1.311307 0.180273
C 2.507074 0.202594 0.167505
C 4.608577 -2.758141 -0.462394
C 3.911546 0.710255 0.117786
C 1.470972 1.099469 0.188931
C 0.024905 0.876114 0.211847
C -0.609026 -0.395953 0.076810
C -0.825235 2.012663 0.369592
C -2.831011 0.606815 0.279310
C -2.006643 -0.540232 0.108451
C -2.220736 1.886211 0.406204
C -5.086771 -0.573800 0.228331
C -6.574126 -0.234209 0.319643
H 4.200499 -1.901710 1.499811
H 1.890069 -1.746761 0.963171
H 2.206449 -1.726303 -0.793212
H 4.488181 -2.493121 -1.527497
H 5.683003 -2.904164 -0.259954
H 4.084800 -3.713994 -0.275351
H 1.788321 2.154174 0.191115
H -0.006795 -1.294591 -0.074652
H -0.372548 3.006328 0.467670
H -2.475974 -1.519452 0.001241
H -2.844833 2.780509 0.531667
H -4.719558 1.447164 0.446754
H -6.814773 0.276147 1.270731
H -7.150055 -1.168751 0.264648
H -6.886952 0.423683 -0.512470


