%chk=000250702.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000250702

0 1
O -3.792321 -1.203416 -1.339498
N -0.401136 -0.420522 0.881086
N -3.019280 1.649696 -0.409806
N -1.106342 2.003128 0.795855
N -1.853449 -1.945897 -0.307763
C 0.881036 -0.181651 1.595002
C -1.233934 0.643663 0.513368
C -2.416118 0.400937 -0.238470
C 2.040708 -0.147381 0.629456
C -0.770395 -1.695907 0.384280
C -2.801078 -0.941348 -0.700736
C 2.243735 0.986298 -0.170669
C 2.912848 -1.240176 0.532645
C -2.204045 2.585660 0.225296
C 3.317112 1.023798 -1.064210
C 3.986737 -1.195525 -0.361459
C 4.189422 -0.065732 -1.160435
H 1.011315 -0.970173 2.371045
H 0.809474 0.790038 2.150009
H -0.082295 -2.521632 0.636913
H -3.882483 1.797652 -0.905226
H 1.560687 1.835386 -0.095424
H 2.763229 -2.122893 1.150818
H -2.416045 3.647389 0.261482
H 3.473733 1.903719 -1.687015
H 4.665558 -2.043984 -0.436364
H 5.025324 -0.034426 -1.857679


%chk=000250702-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000250702

0 1
O -3.994614 -1.222015 -1.186379
N -0.439610 -0.468695 0.884333
N -2.941194 1.617150 -0.499740
N -0.986516 1.958456 0.618990
N -2.048583 -2.026898 -0.074743
C 0.863860 -0.248753 1.580222
C -1.221990 0.595847 0.450887
C -2.422504 0.345542 -0.238530
C 2.048615 -0.139922 0.626476
C -0.929286 -1.740409 0.573035
C -2.919388 -0.988531 -0.557923
C 2.307450 1.077117 -0.055153
C 2.900528 -1.251201 0.409318
C -2.057446 2.545776 0.027646
C 3.397898 1.173735 -0.947071
C 3.992579 -1.154306 -0.482689
C 4.242146 0.059022 -1.164104
H 1.000795 -1.092263 2.279659
H 0.748089 0.677398 2.168609
H -0.297710 -2.566877 0.921711
H -3.816450 1.790277 -0.995052
H 1.647741 1.936150 0.114792
H 2.714012 -2.193892 0.939876
H -2.213496 3.619620 -0.033157
H 3.592104 2.116776 -1.470020
H 4.646310 -2.018691 -0.643031
H 5.088656 0.136289 -1.855460


