%chk=000198985.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198985

0 1
O -5.487478 0.790890 1.506406
O -6.219708 1.695204 -0.562334
N -0.781759 -1.366305 0.475085
N 1.840023 -0.735824 1.581439
N 3.403590 0.539335 0.303098
N 3.789258 -1.842551 0.730907
N 5.109441 1.911990 -0.608215
C -0.134696 -0.040230 0.199420
C 0.257563 -2.438762 0.634963
C 0.810120 0.321422 1.362867
C 1.200970 -2.066654 1.797118
C -1.735078 -1.735238 -0.624847
C -2.912544 -0.788634 -0.649749
C 3.024541 -0.683232 0.824143
C -3.579366 -0.493546 0.569707
C -3.343337 -0.250678 -1.863556
C -4.665299 0.343911 0.478984
C -5.105290 0.888105 -0.764997
C -4.464257 0.608477 -1.949581
C 4.662696 0.630782 -0.251862
C 5.008229 -1.719087 0.149904
C 5.498091 -0.515496 -0.357125
C -6.491328 1.652676 0.876629
C 6.159884 2.015185 -1.652134
C 4.120605 3.020417 -0.638799
H -0.939252 0.725087 0.128146
H 0.422587 -0.016453 -0.761566
H 0.851782 -2.616616 -0.287562
H -0.261697 -3.390558 0.878614
H 1.296236 1.304962 1.174645
H 0.235936 0.415075 2.313487
H 0.631726 -2.000481 2.752818
H 1.977667 -2.854496 1.930711
H -2.119743 -2.762437 -0.412785
H -1.245733 -1.785410 -1.623152
H -3.224796 -0.905068 1.514111
H -2.813040 -0.489497 -2.784409
H -4.793197 1.019619 -2.898830
H 5.600426 -2.641674 0.091883
H 6.484422 -0.457783 -0.795876
H -6.361097 2.667422 1.274449
H -7.474249 1.185581 1.020710
H 6.554680 3.045007 -1.675607
H 5.794270 1.757550 -2.659472
H 7.006643 1.349259 -1.406175
H 4.648463 3.985181 -0.682749
H 3.521508 3.005814 0.293620
H 3.418988 2.948659 -1.484681


%chk=000198985-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000198985

0 1
O -5.207767 1.279981 1.826025
O -6.597450 1.659551 -0.092219
N -0.936904 -1.408843 0.101266
N 1.788382 -0.773683 0.721303
N 3.605460 0.568415 0.053216
N 3.938128 -1.739388 0.809170
N 5.409745 1.934402 -0.616396
C -0.295349 -0.199450 -0.475225
C 0.060526 -2.490100 0.306030
C 0.828239 0.307967 0.449942
C 1.187503 -2.013023 1.242945
C -2.112913 -1.860946 -0.678242
C -3.297231 -0.902807 -0.584006
C 3.151603 -0.638888 0.519593
C -3.600792 -0.284984 0.665661
C -4.118645 -0.666446 -1.712919
C -4.728456 0.532225 0.715845
C -5.548732 0.756010 -0.412047
C -5.267720 0.171674 -1.647709
C 4.953593 0.712759 -0.144840
C 5.273548 -1.562051 0.601926
C 5.853605 -0.371863 0.130625
C -6.513469 1.832991 1.382215
C 6.843856 2.151389 -0.845328
C 4.488588 3.049261 -0.881689
H -1.061603 0.588138 -0.588934
H 0.132468 -0.413628 -1.487886
H 0.513299 -2.823103 -0.662517
H -0.448387 -3.360047 0.762504
H 1.373161 1.145288 -0.010746
H 0.378636 0.651654 1.404706
H 0.759406 -1.817362 2.248122
H 1.984152 -2.767230 1.329807
H -2.409203 -2.848103 -0.268025
H -1.865311 -2.028864 -1.757628
H -2.949991 -0.449499 1.528230
H -3.865464 -1.141962 -2.667541
H -5.896127 0.356558 -2.522555
H 5.905297 -2.429143 0.829792
H 6.932329 -0.297318 -0.008874
H -6.547613 2.907534 1.618781
H -7.329936 1.257945 1.859763
H 6.992084 3.172366 -1.231518
H 7.253057 1.440950 -1.590421
H 7.430673 2.049786 0.089312
H 4.739772 3.927278 -0.254712
H 3.469868 2.713219 -0.640590
H 4.529487 3.352289 -1.946408


