%chk=000257727.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257727

0 1
O -4.553895 0.801348 -0.903938
O 4.553968 -0.804296 -0.901065
N -3.067639 0.593535 0.870243
N 3.067632 -0.590690 0.872359
N -4.951604 -0.871573 0.652953
N 4.951534 0.873787 0.650301
C 0.000013 0.000347 0.226357
C -1.041147 0.717477 -0.641066
C 1.041225 -0.719625 -0.638646
C -2.085667 1.479052 0.187557
C 2.085709 -1.478458 0.192533
C -4.220289 0.222598 0.118233
C 4.220320 -0.222215 0.119200
C -6.314646 -1.087790 0.110776
C 6.314571 1.088316 0.107442
H 0.497994 0.731796 0.891414
H -0.498009 -0.728917 0.893779
H -1.549397 -0.005700 -1.311430
H -0.535342 1.431751 -1.322253
H 1.549503 0.001346 -1.311361
H 0.535461 -1.436143 -1.317503
H -2.646492 2.183949 -0.476020
H -1.600565 2.095871 0.976112
H 1.600572 -2.092688 0.983085
H 2.646582 -2.185525 -0.468691
H -2.632255 -0.122700 1.452087
H 2.632207 0.127448 1.451822
H -4.869744 -1.072762 1.647876
H 4.869630 1.078275 1.644548
H -7.090436 -0.535109 0.663267
H -6.542311 -2.166038 0.142616
H -6.361372 -0.760939 -0.948170
H 7.090400 0.537597 0.661833
H 6.542116 2.166691 0.135638
H 6.361375 0.757884 -0.950388


%chk=000257727-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000257727

0 1
O -4.622594 0.588588 -1.002393
O 4.629652 -0.609758 -0.993447
N -2.980811 0.677520 0.663579
N 2.976779 -0.666586 0.663190
N -4.930215 -0.604270 0.993032
N 4.933480 0.604829 0.989315
C -0.002558 0.004671 -0.099963
C -1.036449 0.768737 -0.956788
C 1.030495 -0.763235 -0.954438
C -2.092694 1.541707 -0.131127
C 2.086664 -1.533526 -0.126167
C -4.203496 0.239422 0.145986
C 4.205855 -0.243751 0.147929
C -6.234718 -1.138081 0.594552
C 6.244563 1.123806 0.592839
H 0.526144 0.726567 0.559229
H -0.530621 -0.714351 0.562791
H -1.565083 0.066044 -1.629369
H -0.505181 1.493609 -1.607044
H 1.558917 -0.063465 -1.630243
H 0.498313 -1.490451 -1.601310
H -2.740826 2.117316 -0.814089
H -1.592288 2.255504 0.553097
H 1.585729 -2.243545 0.561683
H 2.733899 -2.113110 -0.806586
H -2.645238 0.321788 1.558661
H 2.638777 -0.297832 1.552087
H -4.576787 -0.819685 1.925309
H 4.575509 0.834607 1.916413
H -7.045764 -0.778355 1.256579
H -6.238681 -2.244687 0.590939
H -6.432501 -0.779237 -0.428515
H 7.048316 0.767200 1.265359
H 6.256697 2.230210 0.574294
H 6.446718 0.749700 -0.423880


