%chk=000253608.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000253608

0 1
O 2.567404 -0.431103 0.926753
O 1.730042 -1.527458 -0.878727
O -2.732497 1.234695 -2.087682
O -3.079238 -1.765832 -1.337353
O -2.366293 -0.245014 2.186579
O -1.166843 2.050505 -0.820481
O -4.472702 -0.545577 -0.194630
O -2.858841 1.721022 1.396584
N -2.017357 1.250049 -1.118657
N -3.388973 -0.856005 -0.615789
N -2.512205 0.572659 1.312326
C 4.763772 0.200995 0.008575
C 3.920456 -0.926566 0.658494
C -0.913349 -0.796803 -0.110043
C -2.189773 0.050883 -0.130100
C 4.805730 1.414393 0.948739
C 6.181852 -0.360027 -0.198775
C 4.154210 0.598191 -1.343238
C 0.300000 -0.096330 0.496717
C 1.571173 -0.783310 0.060073
H 4.267865 -1.185602 1.673235
H 3.864903 -1.829675 0.026015
H -0.678507 -1.147161 -1.150186
H -1.111841 -1.740618 0.455813
H 3.791736 1.736227 1.218007
H 5.310158 2.266428 0.481528
H 5.334159 1.192220 1.881199
H 6.188368 -1.206673 -0.893820
H 6.845603 0.404167 -0.620403
H 6.635309 -0.692960 0.740183
H 3.977651 -0.275292 -1.983242
H 4.810955 1.280283 -1.893485
H 3.192907 1.107040 -1.216719
H 0.245317 -0.076509 1.610007
H 0.368048 0.979361 0.196804


%chk=000253608-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000253608

0 1
O 2.571598 -0.110657 0.918796
O 1.649453 -1.735610 -0.493626
O -3.638255 1.623150 -1.373696
O -3.118126 -1.374138 -1.950800
O -2.385460 -0.814513 2.094724
O -1.492725 2.193722 -0.837735
O -4.431917 -1.175791 -0.086990
O -3.170726 1.301462 1.710716
N -2.493380 1.398756 -0.859005
N -3.390693 -0.941607 -0.780257
N -2.651794 0.192542 1.353725
C 4.898871 0.194031 0.024941
C 3.936693 -0.722237 0.817557
C -0.898280 -0.601255 -0.352077
C -2.282021 0.005814 -0.158500
C 5.059041 1.555424 0.749019
C 6.265244 -0.542883 -0.026698
C 4.364937 0.413475 -1.413577
C 0.245134 0.070446 0.438365
C 1.537813 -0.707702 0.214177
H 4.266572 -0.830298 1.865348
H 3.838666 -1.713145 0.338788
H -0.677478 -0.600719 -1.433438
H -0.963312 -1.662906 -0.052902
H 4.083646 2.061062 0.861087
H 5.730000 2.221021 0.175474
H 5.493404 1.423108 1.758151
H 6.188439 -1.501190 -0.574021
H 7.013479 0.083389 -0.545557
H 6.650675 -0.754536 0.988880
H 4.181539 -0.548570 -1.926567
H 5.097031 0.988383 -2.009377
H 3.418478 0.984402 -1.405227
H 0.042021 0.081435 1.525100
H 0.400631 1.116738 0.129503


