%chk=000268073.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000268073

0 1
O 3.833167 1.394788 0.015290
O 1.809899 2.019882 -0.907494
O 2.003182 -1.411921 0.920881
O 3.862859 -2.481917 0.083956
O 1.352070 3.109398 2.653207
O -4.578393 1.474113 -1.682231
O -2.869729 2.638040 -1.065365
O -3.498134 -4.192786 0.457624
O -5.073716 -3.146665 -0.594765
N -0.941696 1.568991 0.310727
N -3.502602 1.581510 -1.122929
N -3.986893 -3.191044 -0.042589
C 2.818104 0.885230 0.902143
C 1.489337 1.071005 0.129320
C 3.129380 -0.578029 1.281269
C 3.238603 1.983669 -1.176016
C 0.362931 1.654034 1.011639
C 4.336327 -1.204345 0.561353
C 2.423207 -2.486736 0.020599
C 0.648315 3.123307 1.409989
C 3.516096 1.080295 -2.360622
C 3.713608 3.414061 -1.298330
C 1.938126 -3.799619 0.596557
C 1.954605 -2.169697 -1.387291
C -1.661681 0.416055 0.190600
C -2.932035 0.404279 -0.487771
C -1.193560 -0.821347 0.757583
C -3.685562 -0.785801 -0.552217
C -1.940802 -1.965203 0.684475
C -3.205356 -1.953850 0.025094
H 2.882183 1.543148 1.806084
H 1.159381 0.134067 -0.380203
H 3.197743 -0.675219 2.388256
H 0.317322 1.035052 1.955495
H 5.182086 -1.446232 1.224387
H 4.684121 -0.616694 -0.309009
H 1.366191 3.600967 0.704792
H -0.263476 3.739493 1.482172
H 3.057944 1.475147 -3.276597
H 4.593190 0.971435 -2.538912
H 3.106600 0.065983 -2.200130
H 4.719197 3.475570 -1.732438
H 3.032811 4.003088 -1.927928
H 3.758657 3.900104 -0.312452
H -1.237044 2.416653 -0.220890
H 0.902887 -4.022839 0.317492
H 1.995652 -3.792448 1.694533
H 2.571164 -4.630308 0.250206
H 2.226061 -2.978273 -2.079561
H 2.427657 -1.247974 -1.772424
H 0.867639 -2.038102 -1.434957
H 0.728536 3.049303 3.407868
H -0.207204 -0.859514 1.238132
H -4.663705 -0.780801 -1.069040
H -1.585952 -2.909002 1.121135


%chk=000268073-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000268073

0 1
O 3.600866 0.866200 -0.681403
O 1.627857 2.169995 -0.950012
O 2.069172 -1.547165 0.792167
O 4.142810 -2.586320 1.134007
O 1.733572 2.882461 2.668458
O -4.836679 2.034338 -1.308356
O -2.911056 3.046604 -0.641236
O -3.902360 -4.040572 -0.093988
O -5.527117 -2.690586 -0.967714
N -0.995990 1.629079 0.440789
N -3.653939 1.974181 -0.802750
N -4.360204 -2.880338 -0.444532
C 2.824115 0.836412 0.583642
C 1.400460 1.110221 0.052146
C 2.989784 -0.502965 1.316369
C 2.978960 1.913637 -1.548471
C 0.336865 1.581705 1.068404
C 4.407510 -1.137182 1.207586
C 2.892925 -2.733975 0.368162
C 0.646341 2.972611 1.683243
C 2.839037 1.328013 -2.953119
C 3.768990 3.221487 -1.473901
C 2.195664 -4.004637 0.839420
C 3.139776 -2.663301 -1.146439
C -1.795875 0.544735 0.204627
C -3.113956 0.677430 -0.392433
C -1.375482 -0.791997 0.546250
C -3.947191 -0.441594 -0.601386
C -2.202373 -1.891882 0.341262
C -3.493085 -1.711864 -0.229843
H 3.155441 1.656468 1.249470
H 1.043599 0.190696 -0.449008
H 2.708926 -0.342055 2.375298
H 0.312499 0.840262 1.892897
H 5.025866 -0.973037 2.102814
H 4.931792 -0.777543 0.305304
H 1.012894 3.654521 0.900254
H -0.274474 3.389874 2.137023
H 2.399228 2.076051 -3.634327
H 3.829248 1.032526 -3.341735
H 2.187473 0.438779 -2.931413
H 4.760447 3.095956 -1.941750
H 3.224429 4.021359 -2.005035
H 3.906302 3.527296 -0.423179
H -1.369274 2.525043 0.079064
H 1.209372 -4.102996 0.354620
H 2.062403 -3.974628 1.932434
H 2.803934 -4.887163 0.578074
H 3.811363 -3.483039 -1.455106
H 3.592248 -1.696501 -1.424580
H 2.183391 -2.767368 -1.688337
H 1.366409 2.605565 3.544734
H -0.372449 -0.963492 0.946663
H -4.935922 -0.307366 -1.047386
H -1.875244 -2.901639 0.602956


