%chk=000231628.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000231628

0 1
O -1.018210 -2.515866 -2.263459
N -1.032630 -0.237161 -0.553691
N -2.233841 -0.803145 -0.648190
C 1.324905 0.057690 -0.993327
C 2.308348 -0.721751 -0.136076
C 1.113395 1.449886 -0.417122
C 0.022229 -0.699661 -1.196856
C 3.683800 -0.529365 -0.344903
C 1.165423 2.558743 -1.275136
C 1.879790 -1.615088 0.855308
C 0.871766 1.644609 0.950917
C 0.021340 -1.892762 -2.090170
C 4.615577 -1.229316 0.424978
C 0.984441 3.848211 -0.766457
C 2.816157 -2.315301 1.621781
C 0.691795 2.935226 1.454419
C 4.184518 -2.126542 1.407862
C 0.749700 4.039785 0.598246
C 1.288570 -2.316423 -2.760386
C -3.325756 -0.210546 0.072745
C -4.572720 -0.860760 -0.019459
C -3.178241 0.960183 0.838418
C -5.666642 -0.326839 0.663243
C -4.287219 1.473331 1.511341
C -5.530261 0.836054 1.428251
H 1.779170 0.180550 -2.017872
H 4.028596 0.175908 -1.098998
H 1.338916 2.421893 -2.340186
H 0.815188 -1.763536 1.035462
H 0.816607 0.785710 1.619257
H 5.680663 -1.073418 0.260764
H 1.024987 4.704619 -1.436945
H 2.475818 -3.008674 2.389594
H 0.506514 3.080234 2.517187
H 4.911596 -2.672012 2.005639
H 0.611050 5.043769 0.992656
H 1.669008 -1.551000 -3.449478
H 2.087028 -2.525117 -2.029907
H 1.134659 -3.236279 -3.346687
H -2.419232 -1.644154 -1.237453
H -4.690343 -1.765855 -0.611386
H -2.208675 1.460266 0.900382
H -6.634581 -0.823587 0.597095
H -4.181024 2.380855 2.105904
H -6.388476 1.244632 1.956498


%chk=000231628-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000231628

0 1
O -1.146911 -2.267034 -2.478511
N -0.988246 -0.180398 -0.505146
N -2.200890 -0.743503 -0.675465
C 1.408284 0.084070 -0.944799
C 2.297827 -0.766712 -0.020077
C 1.235111 1.532526 -0.449955
C 0.062215 -0.596648 -1.241185
C 3.705660 -0.744843 -0.194160
C 1.056517 2.563919 -1.406488
C 1.755722 -1.554439 1.026535
C 1.235918 1.873997 0.923451
C -0.022150 -1.669982 -2.246892
C 4.553420 -1.490607 0.653685
C 0.875022 3.904975 -1.004004
C 2.601415 -2.302392 1.877676
C 1.056640 3.215344 1.331309
C 4.002716 -2.274320 1.694877
C 0.873919 4.236460 0.370815
C 1.211827 -2.085949 -3.031515
C -3.307205 -0.292193 0.082630
C -4.549869 -0.955968 -0.092693
C -3.195134 0.792533 0.991903
C -5.676423 -0.535573 0.644212
C -4.330071 1.198762 1.721238
C -5.574202 0.541596 1.555711
H 1.942387 0.159615 -1.913040
H 4.138853 -0.133102 -0.995959
H 1.052845 2.313682 -2.475491
H 0.670496 -1.584629 1.173624
H 1.386104 1.093089 1.675886
H 5.638605 -1.463012 0.503048
H 0.739387 4.688676 -1.758147
H 2.165940 -2.907148 2.681327
H 1.063344 3.463555 2.399024
H 4.657509 -2.857030 2.352424
H 0.738350 5.276632 0.688089
H 1.528849 -1.280993 -3.722583
H 2.064849 -2.302238 -2.363760
H 0.968392 -2.981758 -3.623054
H -2.275165 -1.506566 -1.390500
H -4.628352 -1.792421 -0.797602
H -2.230343 1.294983 1.102936
H -6.633613 -1.050349 0.506297
H -4.245189 2.037306 2.421535
H -6.450657 0.866083 2.126597


